Chemsrc provides Signaling Pathways's classification. They are divided into Anti-infection, Antibody-drug Conjugate, Apoptosis, Autophagy, Cell Cycle/DNA Damage, Cytoskeleton, Epigenetics, GPCR/G Protein, Immunology/Inflammation, JAK/STAT Signaling, MAPK/ERK Pathway, Membrane Transporter/Ion Channel, Metabolic Enzyme/Protease, Neuronal Signaling, NF-κB, PI3K/Akt/mTOR, PROTAC, Protein Tyrosine Kinase/RTK, Stem Cell/Wnt, TGF-beta/Smad, Vitamin D Related, Others according to their Biological activity.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
Autophagy LRRK2 ULK Mitophagy
Cell Cycle/DNA Damage >
Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
Cytoskeleton >
Arp2/3 Complex Dynamin Gap Junction Protein Integrin Kinesin Microtubule/Tubulin Mps1 Myosin PAK
Epigenetics >
AMPK Aurora Kinase DNA Methyltransferase Epigenetic Reader Domain HDAC Histone Acetyltransferase Histone Demethylase Histone Methyltransferase JAK MicroRNA PARP PKC Sirtuin Protein Arginine Deiminase
GPCR/G Protein >
5-HT Receptor Adenosine Receptor Adenylate Cyclase Adiponectin Receptor Adrenergic Receptor Angiotensin Receptor Bombesin Receptor Bradykinin Receptor Cannabinoid Receptor CaSR CCR CGRP Receptor Cholecystokinin Receptor CRFR CXCR Dopamine Receptor EBI2/GPR183 Endothelin Receptor GHSR Glucagon Receptor Glucocorticoid Receptor GNRH Receptor GPCR19 GPR109A GPR119 GPR120 GPR139 GPR40 GPR55 GPR84 Guanylate Cyclase Histamine Receptor Imidazoline Receptor Leukotriene Receptor LPL Receptor mAChR MCHR1 (GPR24) Melatonin Receptor mGluR Motilin Receptor Neurokinin Receptor Neuropeptide Y Receptor Neurotensin Receptor Opioid Receptor Orexin Receptor (OX Receptor) Oxytocin Receptor P2Y Receptor Prostaglandin Receptor Protease-Activated Receptor (PAR) Ras RGS Protein Sigma Receptor Somatostatin Receptor TSH Receptor Urotensin Receptor Vasopressin Receptor Melanocortin Receptor
Immunology/Inflammation >
Aryl Hydrocarbon Receptor CCR Complement System COX CXCR FLAP Histamine Receptor IFNAR Interleukin Related IRAK MyD88 NO Synthase NOD-like Receptor (NLR) PD-1/PD-L1 PGE synthase Salt-inducible Kinase (SIK) SPHK STING Thrombopoietin Receptor Toll-like Receptor (TLR) Arginase
JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
Stem Cell/Wnt >
Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
TGF-beta/Smad >
TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

Sofosbuvir impurity M

Sofosbuvir impurity M, an diastereoisomer of sofosbuvir, is the impurity of sofosbuvir. Sofosbuvir (PSI-7977) is an inhibitor of HCV RNA replication, demonstrates potent anti-hepatitis C virus activity.

  • CAS Number: 2095551-10-1
  • MF: C22H30N3O10P
  • MW: 527.46
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-16-diaminohexane

Fmoc-1,6-diaminohexane is an analog of Osw-1 which can be used to treat Alzheimer's disease and cancer, extracted from patent US 20140135279 A1.

  • CAS Number: 166410-37-3
  • MF: C21H26N2O2
  • MW: 338.44
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Methoxyanofinic acid

2-Methoxyanofinic acid is an iridoid compound that can be found in Gentiana macrophylla[1].

  • CAS Number: 179457-70-6
  • MF: C13H14O4
  • MW: 234.25
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 376.8±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 143.4±21.4 °C

N-Acetyl-Calicheamicin

N-Acetyl-Calicheamicin is a potent enediyne antitumor antibiotic. Target: AntibacterialN-Acetyl-Calicheamicin is a a derivative of Calicheamicin. Calicheamicin is a naturally occurring hydrophobic enediyne antibiotic that was isolated from the actinomycete Micromonospora echinospora calichensis. Calicheamicin can interfere with biological processes not simply by cleaving free DNA but also by displacing a DNA-binding protein through competition or modulation of DNA structure.

  • CAS Number: 108212-76-6
  • MF: C57H76IN3O22S4
  • MW: 1410.39
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Resorufin pentyl ether

Resorufin pentyl ether (Pentoxyresorufin; 7-Pentoxyphenoxazone) is a Resazurin (HY-111391) analogue. Resorufin pentyl ether acts as a substrate to distinguish between different induced cytochromes P-450. Resorufin pentyl ether maintains bactericidal activity against N. gonorrhoeae in vitro[1][2].

  • CAS Number: 87687-03-4
  • MF: C17H17NO3
  • MW: 283.32200
  • Catalog: Bacterial
  • Density: 1.2g/cm3
  • Boiling Point: 423.6ºC at 760 mmHg
  • Melting Point: 151-153ºC
  • Flash Point: 183.4ºC

Naringenin trimethyl ether

Naringenin trimethyl ether is a constituent of twigs and leaves of Aglaia duperreana. Naringenin trimethyl exhibits significant molluscicidal activity, with a LC50 of 3.9 μg/ mL for P. canaliculata[1].

  • CAS Number: 38302-15-7
  • MF: C18H18O5
  • MW: 314.332
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 500.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 222.1±30.2 °C

Mca-Pro-Leu-Ala-Nva-Dap(Dnp)-Ala-Arg-NH2 trifluoroacetate salt

Mca-PLA-Nva-Dap(Dnp)-AR-NH2 is a fluorogenic substrate for matrix metalloproteinase-2 (MMP-2) [1].

  • CAS Number: 256394-92-0
  • MF: C48H66N14O15
  • MW: 1079.12000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Icariin

Icariin is a flavonol glycoside. Icariin inhibits PDE5 and PDE4 activities with IC50s of 432 nM and 73.50 μM, respectively. Icariin also is a PPARα activator.

  • CAS Number: 489-32-7
  • MF: C33H40O15
  • MW: 676.662
  • Catalog: Autophagy
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 948.5±65.0 °C at 760 mmHg
  • Melting Point: 223-225ºC
  • Flash Point: 300.9±27.8 °C

N-Arachidonoyl-γ-aminobutyric acid

N-Arachidonoyl-GABA is one member of a new class of lipoamino acids related to anandamide identified in bovine brain. N-Arachidonoyl-GABA displays analgesic activity[1].

  • CAS Number: 128201-89-8
  • MF: C24H39NO3
  • MW: 389.571
  • Catalog: GABA Receptor
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 580.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 305.1±30.1 °C

14,15-beta-dihydroxyklaineanone

14,15 D-dihydroxyklaineanone, a quassinoid isolated from the root of Eurycoma longifolia, possesses anti-cancer activity[1].

  • CAS Number: 137359-82-1
  • MF: C20H28O8
  • MW: 396.43200
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SKF 38393 hydrobromide

SKF 38393 hydrobromide is a selective agonist of the dopamine D1 receptor (D1DR) with an IC50 of 110 nM[1].

  • CAS Number: 20012-10-6
  • MF: C16H18BrNO2
  • MW: 336.22400
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PNU-101603

PNU-101603 is a metabolite of Sutezolid (HY-10392). PNU-101603 has excellent activity against Mycobacterium tuberculosis (MTB)[1].

  • CAS Number: 168828-60-2
  • MF: C16H20FN3O4S
  • MW: 369.411
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 698.8±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 376.4±31.5 °C

BMS-986299

BMS-986299 (compound 112) is a first-in-class NLRP3 inflammasome agonist with an EC50 of 1.28 μM. (patent WO2018152396A1).

  • CAS Number: 2242952-69-6
  • MF: C18H19N7O
  • MW: 349.39
  • Catalog: NOD-like Receptor (NLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HSR6071

HSR6071 is an antiallergic agent with potential for the treatment of asthma.

  • CAS Number: 111374-21-1
  • MF: C10H12N8O
  • MW: 260.25500
  • Catalog: Inflammation/Immunology
  • Density: 1.555g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TUG-1375

TUG-1375 is an agonist of free fatty acid receptor 2 (FFA2/GPR43), with a pKi of 6.69. TUG-1375 is inactive on FFA3, FFA4, PPARα, PPARγ, PPARδ, LXRα or LXRβ[1].

  • CAS Number: 2247372-59-2
  • MF: C22H19ClN2O4S
  • MW: 442.92
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Iminodaunorubicin

5-Iminodaunorubicin is a quinone-modified anthracycline that retains antitumor activity[1]. 5-Iminodaunorubicin produces protein-concealed DNA strand breaks in cancer cells[2].

  • CAS Number: 72983-78-9
  • MF: C27H30N2O9
  • MW: 526.54
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Refametinib

Refametinib is a potent, selective, allosteric MEK1/MEK2 inhibitor with IC50s of 19 nM and 47 nM, respectively.

  • CAS Number: 923032-37-5
  • MF: C19H20F3IN2O5S
  • MW: 572.337
  • Catalog: MEK
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 566.9±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 296.7±32.9 °C

TN-16

TN-16 is a potent inhibitor of microtubule polymerization with IC50 of 0.4-1.7 µM[1].

  • CAS Number: 33016-12-5
  • MF: C19H18N2O2
  • MW: 306.35800
  • Catalog: Microtubule/Tubulin
  • Density: 1.249g/cm3
  • Boiling Point: 532.7ºC at 760 mmHg
  • Melting Point: 182-185 °C
  • Flash Point: 195.5ºC

Zidebactam

Zidebactam (WCK-5107) is a potent β-lactamase inhibitor[1]. Zidebactam also is a penicillin-binding protein2 (PBP2) inhibitor with an IC50 of 0.26 μg/mL[2].

  • CAS Number: 1436861-97-0
  • MF: C13H21N5O7S
  • MW: 391.40
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-(Benzo[d][1,3]dioxol-5-yl)-2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetamide

microRNA-21-IN-2 is a potential miR-21 inhibitor with an AC50 value of 3.29 μM. microRNA-21-IN-2 can be used for the research of cancer[1].

  • CAS Number: 303018-40-8
  • MF: C17H15N3O3S
  • MW: 341.38
  • Catalog: MicroRNA
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PSB 603

PSB-603 is a potent and selective adenosine A2B receptor antagonist exhibiting a Ki value of 0.553 nM at the human A2B receptor and virtually no affinity for the human and rat A1 and A2A and the human A3 receptors up to a concentration of 10 μM[1].

  • CAS Number: 1092351-10-4
  • MF: C24H25ClN6O4S
  • MW: 529.01
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antitumor agent-45

Antitumor agent-45 (Compound 21) could induce and stimulate A549 cells apoptosis in G0/G1 and G2/M phase. Antitumor agent-45 (Compound 21) inhibits c-Met expression to regulate the growth of tumor cells[1].

  • CAS Number: 2581082-74-6
  • MF: C28H17BrFN5O3
  • MW: 570.37
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SARS-CoV-2-IN-10

SARS-CoV-2-IN-10 is a potent and nontoxic inhibitor of SARS-CoV-2 3CL protease (3CLpro) with an IC50 and EC50 of 0.13 and 1.03 nM, respectively. SARS-CoV-2 3C-like protease (3CLpro), an enzyme essential for viral replication, is an attractive target for therapeutic intervention. SARS-CoV-2-IN-11 may lead to the emergence of effective SARS-CoV-2-specific antivirals[1].

  • CAS Number: 2722634-95-7
  • MF: C27H37F2N3O5
  • MW: 521.60
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Columbianetin

Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].

  • CAS Number: 3804-70-4
  • MF: C14H14O4
  • MW: 246.259
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 443.0±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 171.9±22.2 °C

PF-02575799

PF-02575799 is a microsomal triglyceride transfer protein (MTP) inhibitor with an IC50 of 0.77±0.29 nM.

  • CAS Number: 863491-70-7
  • MF: C42H37FN4O4
  • MW: 680.76600
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SB202190 (FHPI)

SB 202190 is a cell-permeable p38 MAP kinase inhibitor with IC50s of 50 nM and 100 nM for p38 and p38β2, respectively.

  • CAS Number: 152121-30-7
  • MF: C20H14FN3O
  • MW: 331.343
  • Catalog: Autophagy
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 565.7±50.0 °C at 760 mmHg
  • Melting Point: 240-243℃
  • Flash Point: 295.9±30.1 °C

Adavosertib (MK-1775)

Adavosertib (AZD-1775; MK-1775) is a potent Wee1 inhibitor with an IC50 of 5.2 nM.

  • CAS Number: 955365-80-7
  • MF: C27H32N8O2
  • MW: 500.595
  • Catalog: Wee1
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 723.8±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 391.5±35.7 °C

Phytic acid

Phytic acid is a major phosphorus storage compound of most seeds and cereal grains.

  • CAS Number: 83-86-3
  • MF: C6H18O24P6
  • MW: 660.04
  • Catalog: Xanthine Oxidase
  • Density: 2.4±0.1 g/cm3
  • Boiling Point: 1190.7±75.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 673.9±37.1 °C

2'-Deoxyguanosine 5'-(Tetrahydrogen Triphosphate)

dGTP (2'-Deoxyguanosine-5'-triphosphate), a guanosine nucleotide, can be used in deoxyribonucleic acid synthesis. Guanosine nucleotides (GDP, GTP, dGDP, and dGTP) are highly susceptible to oxidative damage to 8-oxo-GDP (8-O-GDP), 8-O-dGTP, 8-O-GTP, and 8-O-dGTP[1].

  • CAS Number: 2564-35-4
  • MF: C10H16N5O13P3
  • MW: 507.18
  • Catalog: DNA/RNA Synthesis
  • Density: 2.63g/cm3
  • Boiling Point: 989.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 552.2ºC

Talabostat

Talabostat (PT100, Val-boroPro) is a potent, nonselective and orally available dipeptidyl peptidase IV (DPP-IV) inhibitor with a Ki of 0.18 nM.

  • CAS Number: 149682-77-9
  • MF: C9H19BN2O3
  • MW: 214.070
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 421.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 208.7±31.5 °C