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

Isonipecotic acid

Isonipecotic acid is a GABAA receptor partial agonist[1].

  • CAS Number: 498-94-2
  • MF: C6H11NO2
  • MW: 129.157
  • Catalog: GABA Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 265.8±33.0 °C at 760 mmHg
  • Melting Point: >300 °C(lit.)
  • Flash Point: 114.5±25.4 °C

SAR131675

(Rac)-SAR131675 is the racemate of SAR131675. SAR131675 is a potent and selective VEGFR3 inhibitor with an IC50 of 23 nM[1][2].

  • CAS Number: 1092539-44-0
  • MF: C18H22N4O4
  • MW: 358.392
  • Catalog: VEGFR
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 592.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 312.0±30.1 °C

(15S,16E)-16,17,20,21-Tetradehydro-16-formyl-18,19-secoyohimban-19-oic acid methyl ester

Vallesiachotamine, a known monoterpene indole alkaloid, possesses anti-tumor activity[1].

  • CAS Number: 5523-37-5
  • MF: C21H22N2O3
  • MW: 350.41
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diethylstilbestrol-d3

Diethylstilbestrol-d3 is deuterium labeled Diethylstilbestrol.

  • CAS Number: 58322-36-4
  • MF: C18H17D3O2
  • MW: 271.37
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ravoxertinib

Ravoxertinib (GDC-0994) is an orally bioavailable ERK kinase inhibitor with an IC50 of 6.1 nM and 3.1 nM for ERK1 and ERK2, respectively.

  • CAS Number: 1453848-26-4
  • MF: C21H18ClFN6O2
  • MW: 440.858
  • Catalog: ERK
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 734.6±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 398.0±35.7 °C

Ald-Ph-PEG3-O-NH-Boc

Ald-Ph-PEG4-NH-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2110449-01-7
  • MF: C21H32N2O8
  • MW: 440.49
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DSPE-glutaric acid

DSPE-glutaric acid is a lipid. DSPE-glutaric acid can be used for the research of various biochemical[1].

  • CAS Number: 1009838-54-3
  • MF: C46H88NO11P
  • MW: 862.16
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PB1

PB1 is a potent intracellular disulfide reducing agent with several advantages including good cell permeability, the ability to form a high intracellular concentration gradient, and stability. PB1 is a borane-protected TCEP (tris(2-carboxyethyl)phosphine) analogue. PB1 increases retinal ganglion cells survival after axotomy in vitro at nanomolar and picomolar concentrations. PB1 can be used for the research of neuroprotective[1][2][3].

  • CAS Number: 188714-28-5
  • MF: C14H22BO4P
  • MW: 296.11
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TUS-007

TUS-007 is a CANDDY molecular, modified from a proteasome inhibitor. However, TUS-007 hardly inhibits proteasome activity. TUS-007 is also an orally active and potent KRAS G12D/V degrader. TUS-007 can be applied in KRAS G12D/V chemical knockdown in cell-free. TUS-007 also exhibits tumor suppression[1]. Note: CANDDY refers to Chemical knockdown with Affinity aNd Degradation DYnamics.

  • CAS Number: 2227029-18-5
  • MF: C44H54Cl2N8O5
  • MW: 845.86
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AGN194204

AGN194204 (IRX4204) is an orally active and selective RXR agonist with Kd values 0.4 nM, 3.6 nM and 3.8 nM and EC50s of 0.2 nM, 0.8 nM and 0.08 nM for RXRα, RXRβ and RXRγ, respectively. AGN194204 is inactive against RAR. AGN194204 has anti-inflammatory and anticarcinogenic actions[1][2].

  • CAS Number: 220619-73-8
  • MF: C24H32O2
  • MW: 352.51000
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cinsebrutinib

Cinsebrutinib is a Bruton's tyrosine kinase inhibitor, extracted from patent WO2021207549 (compound 5-6). Cinsebrutinib has the potential for cancer study.

  • CAS Number: 2724962-58-5
  • MF: C22H26FN3O2
  • MW: 383.46
  • Catalog: Btk
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Altenuene

Altenuene is a heptaketide isolated from an endolichenic fungal strain Nigrospora sphaerica[1].

  • CAS Number: 29752-43-0
  • MF: C15H16O6
  • MW: 292.28
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chloropyramine

Chloropyramine is competitive reversible H1 receptor antagonist. Chloropyramine also has anti-tumour activity in breast cancer. Chloropyramine can be used for the research of allergic conditions, such as conjunctivitis and bronchial asthma[1][2].

  • CAS Number: 59-32-5
  • MF: C16H20ClN3
  • MW: 289.80300
  • Catalog: Apoptosis
  • Density: 1.158g/cm3
  • Boiling Point: 413.5ºC at 760 mmHg
  • Melting Point: 25°C
  • Flash Point: 203.9ºC

4-Hydroxypropranolol D7 hydrochloride

4-Hydroxypropranolol D7 hydrochloride ((±)-4-hydroxy Propranolol D7 hydrochloride) is a deuterium labeled 4-Hydroxypropranolol hydrochloride. 4-Hydroxypropranolol hydrochlorid is an active metabolite of Propranolol, with potency comparable to Propranolol. 4-Hydroxypropranolol hydrochlorid inhibits β1- and β2-adrenergic receptors with pA2 values of 8.24 and 8.26, respectively. 4-Hydroxypropranolol hydrochlorid has intrinsic sympathomimetic activity, membrane stabilizing activity and potent antioxidant properties[1][2][3].

  • CAS Number: 1219804-03-1
  • MF: C16H15D7ClNO3
  • MW: 282.386
  • Catalog: Adrenergic Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 487.5±35.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 248.6±25.9 °C

McN5691

McN5691 is a voltage-sensitive calcium channel blocker.

  • CAS Number: 99254-95-2
  • MF: C30H35NO3
  • MW: 457.604
  • Catalog: Calcium Channel
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 595.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 156.4±27.3 °C

Fmoc-PEG4-NHS ester

Fmoc-PEG4-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1314378-14-7
  • MF: C30H36N2O10
  • MW: 584.614
  • Catalog: PROTAC Linker
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Apricitabine

Apricitabine (SPD754; AVX754), the (-) enantiomer of 2′-deoxy-3′-oxa-4′-thiocytidine (dOTC), is a highly selective and orally active HIV-1 reverse transcriptase (RT) inhibitor (Ki=0.08 μM), as well as inhibits DNA polymerases α, β, and γ with Ki value of 300 μM, 12 μM, and 112.25 μM, respectively[1]. Apricitabine (SPD754; AVX754) shows promising antiretroviral efficacy, good tolerability and a low propensity for resistance selection in antiretroviral-naive HIV infection[2].

  • CAS Number: 160707-69-7
  • MF: C8H11N3O3S
  • MW: 229.256
  • Catalog: HIV
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 475.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 241.3±31.5 °C

Benzyl-PEG7-THP

Benzyl-PEG7-THP is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 230620-75-4
  • MF: C26H44O9
  • MW: 500.62200
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Firocoxib-d4

Firocoxib-d4 (ML 1785713-d4) is the deuterium labeled Firocoxib. Firocoxib (ML 1785713) is a potent, selective and orally active COX-2 inhibitor with an IC50 of 0.13 μM. Firocoxib shows 58-fold more selective for COX-2 than COX-1 (IC50 of 7.5 μM). Firocoxib has anti-inflammatory effects[1].

  • CAS Number: 1325700-11-5
  • MF: C17H16D4O5S
  • MW: 340.43
  • Catalog: COX
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pimpinellin

Pimpinellin is a constituent of Cyrtomium fortumei (J.). Pimpinellin inhibits the growth of tumor cells via the induction of tumor cell apoptosis[1].

  • CAS Number: 131-12-4
  • MF: C13H10O5
  • MW: 246.215
  • Catalog: Apoptosis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 441.0±45.0 °C at 760 mmHg
  • Melting Point: 119°
  • Flash Point: 220.5±28.7 °C

Rhapontigenin 3'-O-glucoside

Rhapontigenin 3'-O-glucoside is a derivative of Rhapontigenin. Rhapontigenin is a potent inactivator of human P450 1A1 and is a good candidate for a cancer chemopreventive agent[1].

  • CAS Number: 94356-22-6
  • MF: C21H24O9
  • MW: 420.410
  • Catalog: Cancer
  • Density: 1.5±0.0 g/cm3
  • Boiling Point: 711.3±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 384.0±0.0 °C

Methyl 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetate

Methyl 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetate, a natural coumarins derivative, is exploited for the synthesis of the switchable fluorescent substrates to be used in bacterial enzyme detection[1][2][3].

  • CAS Number: 15991-13-6
  • MF: C12H10O5
  • MW: 234.20500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HBV-IN-22

HBV-IN-22 (Compound LC5f) is an inhibitor of HBV DNA replication with IC50 values of 0.71 µM and 0.84 µM against wild-type and drug resistant HBV strains, respectively[1].

  • CAS Number: 2338573-94-5
  • MF: C26H29N3O2S2
  • MW: 479.66
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BI-3802

BI-3802 is a highly potent BCL6 degrader, inhibiting the BTB domain of BCL6, with an IC50 of ≤3 nM; BI-3802 has antitumor activity.

  • CAS Number: 2166387-65-9
  • MF: C24H29ClN6O3
  • MW: 484.98
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Emodin-8-O-(6'-methylma1onyl)-glucopyranoside

Emoghrelin, isolated from? Heshouwu Polygonum multiflorum, stimulates growth hormone secretion via activation of the ghrelin receptor[1].

  • CAS Number: 928262-58-2
  • MF: C24H22O13
  • MW: 518.42
  • Catalog: GHSR
  • Density: 1.675±0.06 g/cm3(Predicted)
  • Boiling Point: 889.3±65.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Propoxur

Propoxur is a carbamate insecticide with a fast knockdown and long residual effect used against turf, forestry, and household pests and fleas.

  • CAS Number: 114-26-1
  • MF: C11H15NO3
  • MW: 209.242
  • Catalog: Fungal
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 327.2±44.0 °C at 760 mmHg
  • Melting Point: 91°C
  • Flash Point: 151.7±28.4 °C

[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonic acid

Metamizol (Methamizole) is an anti-thyroid agent, which blocks thyroid hormone production from the thyroid gland. Metamizol can cause hepatotoxicity[1].

  • CAS Number: 50567-35-6
  • MF: C13H17N3O4S
  • MW: 311.35700
  • Catalog: Cardiovascular Disease
  • Density: 1.379g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diphenyl-2,2′,4,4′,6,6′-methylamine-d6

Diphenyl-2,2′,4,4′,6,6′-methylamine-d6 is the deuterium labeled Diphenyl-methylamine[1].

  • CAS Number: 79825-74-4
  • MF: C13H7D6N
  • MW: 189.28600
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

UK-52831

UK-52831, a calcium channel antagonist, is used potentially for the treatment of hypertension and myocardia ischemia.

  • CAS Number: 93118-77-5
  • MF: C22H26Cl2N6O5
  • MW: 525.39
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-[(1,1-Dimethylethoxy)carbonyl]-L-leucylglycine

(tert-Butoxycarbonyl)-L-leucylglycine is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 32991-17-6
  • MF: C13H24N2O5
  • MW: 288.340
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 499.6±30.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 255.9±24.6 °C