HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：C-C chemokine receptor type 5

External ID: CHEMBL4134312

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL274
ChEMBL Target Name: C-C chemokine receptor type 5
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：C-C chemokine receptor type 7

External ID: CHEMBL4134313

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL4594
ChEMBL Target Name: C-C chemokine receptor type 7
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：C-C chemokine receptor type 1

External ID: CHEMBL4134310

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL2413
ChEMBL Target Name: C-C chemokine receptor type 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：C-C chemokine receptor type 2

External ID: CHEMBL4134311

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL4015
ChEMBL Target Name: C-C chemokine receptor type 2
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：C-X-C chemokine receptor type 1

External ID: CHEMBL4134308

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL4029
ChEMBL Target Name: Interleukin-8 receptor A
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：C-X-C chemokine receptor type 2

External ID: CHEMBL4134309

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL2434
ChEMBL Target Name: Interleukin-8 receptor B
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4134306

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Standard Type	Standard Relation	Standard Value	Standard Units
PPB	=	96.7	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：C-C chemokine receptor type 4

External ID: CHEMBL4134307

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL2414
ChEMBL Target Name: C-C chemokine receptor type 4
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
1	IC50	=	1000	nM
0.007943	IC50	=	7.943	nM
10	IC50	=	10000	nM
5.01187	IC50	=	5011.87	nM
0.003981	IC50	=	3.981	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3301363

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

Standard Type	Standard Value
LogD7.4	1.56
LogD7.4	1.39
LogD7.4	-0.78
LogD7.4	2.22
LogD7.4	3
LogD7.4	1.91
LogD7.4	-0.84
LogD7.4	1.19
LogD7.4	-1.08
LogD7.4	3.08
LogD7.4	3.65
LogD7.4	-0.5
LogD7.4	2.43
LogD7.4	2.3
LogD7.4	3.65
LogD7.4	4.3
LogD7.4	3.26
LogD7.4	2.55
LogD7.4	1.69
LogD7.4	1.46

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3301365

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

Standard Type	Standard Value	Standard Units
PPB	96	%
PPB	34.42	%
PPB	87.87	%
PPB	79.55	%
PPB	55.73	%
PPB	99.91	%
PPB	98.61	%
PPB	99.81	%
PPB	87.11	%
PPB	96.26	%
PPB	92.32	%
PPB	66.1	%
PPB	75.97	%
PPB	99.19	%
PPB	62.4	%
PPB	30.88	%
PPB	71.99	%
PPB	98.37	%
PPB	92.64	%
PPB	95.72	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3301364

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

PubChem Standard Value	Standard Type	Standard Value	Standard Units
0.2	Solubility	200	nM
0.1	Solubility	100	nM
79.4	Solubility	79400	nM
741.3	Solubility	741300	nM
1445.4	Solubility	1445400	nM
151.4	Solubility	151400	nM
245.5	Solubility	245500	nM
239.9	Solubility	239900	nM
1445.4	Solubility	1445400	nM
1445.4	Solubility	1445400	nM
50.1	Solubility	50100	nM
154.9	Solubility	154900	nM
144.5	Solubility	144500	nM
10.5	Solubility	10500	nM
426.6	Solubility	426600	nM
407.4	Solubility	407400	nM
457.1	Solubility	457100	nM
9.1	Solubility	9100	nM
2.1	Solubility	2100	nM
158.5	Solubility	158500	nM

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：C-C chemokine receptor type 8

External ID: CHEMBL4134314

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL4596
ChEMBL Target Name: C-C chemokine receptor type 8
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Standard Type	Activity Comment
Activity	Not Active
Activity	Not Active
Activity	Not Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3301367

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

Standard Type	Standard Value	Standard Units
PPB	99.72	%
PPB	31.37	%
PPB	95.63	%
PPB	65.06	%
PPB	96.93	%
PPB	92.64	%
PPB	86.59	%
PPB	67.12	%
PPB	69.61	%
PPB	95.33	%
PPB	99.43	%
PPB	85.77	%
PPB	38.69	%
PPB	78.79	%
PPB	59.66	%
PPB	72.91	%
PPB	14.52	%
PPB	60.77	%
PPB	52.3	%
PPB	14.52	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3301366

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

Standard Type	Standard Value	Standard Units
PPB	78.41	%
PPB	43.14	%
PPB	82.72	%
PPB	87.62	%
PPB	82.05	%
PPB	99.71	%
PPB	99.3	%
PPB	34.42	%
PPB	97.95	%
PPB	93.1	%
PPB	94.79	%
PPB	93.53	%
PPB	86.85	%
PPB	98.47	%
PPB	99.85	%
PPB	98.47	%
PPB	75.12	%
PPB	99.36	%
PPB	81.36	%
PPB	83.04	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL4134296

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
CL	=	0.1	mL.min-1.kg-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL4134297

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Vdss	=	0.1	L.kg-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Hepatocyte

External ID: CHEMBL4134294

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL613690
ChEMBL Target Name: Hepatocyte
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Stability	<	0.2	uL/ml
Stability	<	1	uL/ml
Stability	<	0.2	uL/ml

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL4134295

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
CL	=	0.1	mL.min-1.kg-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4134292

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Standard Type	Standard Relation	Standard Value
LogD	=	1.1
LogD	=	0.6
LogD	=	0.35

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4134293

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Standard Type	Standard Relation	Standard Value	Standard Units
Solubility	=	340	ug.mL-1
Solubility	=	1300	ug.mL-1
Solubility	=	1500	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4134291

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Standard Type	Standard Relation	Standard Value	Standard Units
PPB	>	99.9	%
PPB	=	99.4	%
PPB	=	98.9	%
PPB	>	99.9	%
PPB	>	99.9	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4134305

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Standard Type	Standard Relation	Standard Value	Standard Units
PPB	=	99.85	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL4134302

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
F	=	86	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL4134300

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
T1/2	=	10	hr

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL4134301

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
F	=	45	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Mus musculus

External ID: CHEMBL4134298

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL375
ChEMBL Target Name: Mus musculus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
Vdss	=	0.1	L.kg-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Rattus norvegicus

External ID: CHEMBL4134299

Protocol: N/A

Comment: Journal: ACS Med Chem Lett
Year: 2017
Volume: 8
Issue: 9
First Page: 981
Last Page: 986
DOI: 10.1021/acsmedchemlett.7b00315

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
T1/2	=	16	hr

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3301368

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

Standard Type	Standard Value	Standard Units
PPB	99.81	%
PPB	99.73	%
PPB	82.05	%
PPB	48.85	%
PPB	23.19	%
PPB	97.81	%
PPB	97.32	%
PPB	96.42	%
PPB	93.39	%
PPB	81.01	%
PPB	92.48	%
PPB	93.8	%
PPB	91.28	%
PPB	82.05	%
PPB	81.01	%
PPB	81.71	%
PPB	64.01	%
PPB	93.39	%
PPB	78.01	%
PPB	99.25	%

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3301371

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

Standard Type	Standard Relation	Standard Value	Standard Units
CL		12.02	uL.min-1.(10^6cells)-1
CL	>	150	uL.min-1.(10^6cells)-1
CL		13.18	uL.min-1.(10^6cells)-1
CL	>	150	uL.min-1.(10^6cells)-1
CL	>	150	uL.min-1.(10^6cells)-1
CL	>	150	uL.min-1.(10^6cells)-1
CL		52	uL.min-1.(10^6cells)-1
CL	>	150	uL.min-1.(10^6cells)-1
CL	<	3	uL.min-1.(10^6cells)-1
CL	>	150	uL.min-1.(10^6cells)-1
CL		144	uL.min-1.(10^6cells)-1
CL		11.75	uL.min-1.(10^6cells)-1
CL	<	3	uL.min-1.(10^6cells)-1
CL		61	uL.min-1.(10^6cells)-1
CL	>	150	uL.min-1.(10^6cells)-1
CL		24.55	uL.min-1.(10^6cells)-1
CL		14.24	uL.min-1.(10^6cells)-1
CL		13.18	uL.min-1.(10^6cells)-1
CL	<	3	uL.min-1.(10^6cells)-1
CL		114	uL.min-1.(10^6cells)-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3301370

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

Standard Type	Standard Relation	Standard Value	Standard Units
CL		8.33	mL.min-1.g-1
CL		4	mL.min-1.g-1
CL		13.49	mL.min-1.g-1
CL		48.98	mL.min-1.g-1
CL		5.75	mL.min-1.g-1
CL		6	mL.min-1.g-1
CL	<	3	mL.min-1.g-1
CL		43.65	mL.min-1.g-1
CL		35	mL.min-1.g-1
CL		6.31	mL.min-1.g-1
CL	<	3	mL.min-1.g-1
CL		15.14	mL.min-1.g-1
CL	<	3	mL.min-1.g-1
CL		5.75	mL.min-1.g-1
CL	<	3	mL.min-1.g-1
CL		82	mL.min-1.g-1
CL		29.51	mL.min-1.g-1
CL		6.46	mL.min-1.g-1
CL		116	mL.min-1.g-1
CL		8	mL.min-1.g-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3301375

Protocol: N/A

Comment: Data Source: AstraZeneca DMPK/physicochemical

Standard Type	Standard Value	Activity Comment
pKa_A1	6.08	"A1 Functional Group: Carboxylic acid; Ionisation Formula: A1B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	5.81	"A1 Functional Group: Carboxylic acid; Ionisation Formula: A1B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	5.6	"A1 Functional Group: Carboxylic acid; Ionisation Formula: A1B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	6.13	"A1 Functional Group: Carboxylic acid; Ionisation Formula: A1B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	3.32	"A1 Functional Group: Carboxylic acid; Ionisation Formula: A1B0 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	6.05	"A1 Functional Group: Carboxylic acid; Ionisation Formula: A1B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	6.31	"A1 Functional Group: Carboxylic acid; Ionisation Formula: A1B2 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	6.36	"A1 Functional Group: Carboxylic acid; Ionisation Formula: A1B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	3.63	"A1 Functional Group: Carboxylic acid; Ionisation Formula: A2B0 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	7.01	"A1 Functional Group: Sulphonamide; Ionisation Formula: A1B0 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	6.29	"A1 Functional Group: Sulphonamide; Ionisation Formula: A1B0 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	5.25	"A1 Functional Group: Sulphonamide; Ionisation Formula: A1B0 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	3.76	"A1 Functional Group: Sulphonylurea; Ionisation Formula: A1B0 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	8.26	"A1 Functional Group: Sulphonamide; Ionisation Formula: A2B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	7.66	"A1 Functional Group: Phosphonic acid; Ionisation Formula: A1B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	8.8	"A1 Functional Group: 1H-benzimidazole, 2-(methylsulfinyl)-; Ionisation Formula: A1B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	10.71	"A1 Functional Group: 6H-pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-; Ionisation Formula: A1B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	4.69	"A1 Functional Group: Sulphonylurea; Ionisation Formula: A1B0 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	4.2	"A1 Functional Group: Hydroxyl; Ionisation Formula: A1B0 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."
pKa_A1	9.25	"A1 Functional Group: Phenol; Ionisation Formula: A1B1 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)."

548792-80-9 靶点实验数据