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

7-Keto-3α,12-α-dihydroxycholanic Acid

7-keto-lithocholic acid is a metabolite of bile acids in Clostridium absonum. 7-keto-lithocholic acid is also converted from Lactobacillus and Bifidobacterium with specific condition[1][2].

  • CAS Number: 911-40-0
  • MF: C24H38O5
  • MW: 406.55600
  • Catalog: Others
  • Density: 1.18g/cm3
  • Boiling Point: 583ºC at 760mmHg
  • Melting Point: 54-60ºC
  • Flash Point: 320.4ºC

MK-8776

SCH900776 S-isomer is the S-isomer of SCH900776. SCH900776 is a potent, selective and orally bioavailable inhibitor of checkpoint kinase1 (Chk1) with IC50 of 3 nM.

  • CAS Number: 891494-64-7
  • MF: C15H18BrN7
  • MW: 376.254
  • Catalog: Cancer
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sphingosine-1-phosphate

Sphingosine-1-phosphate (S1P) is an agonist of S1P1-5 receptors and a ligand of GPR3, GPR6 and GPR12. Sphingosine-1-phosphate is an intracellular second messenger and mobilizes Ca2+ as an extracellular ligand for G protein-coupled receptors[1]. Sphingosine-1-phosphate is an important lipid mediator generated from Sphingomyelin (HY-113498) or other membrane phospholipids[2].

  • CAS Number: 26993-30-6
  • MF: C18H38NO5P
  • MW: 379.472
  • Catalog: LPL Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 548.8±60.0 °C at 760 mmHg
  • Melting Point: 190ºC
  • Flash Point: 285.7±32.9 °C

HA5

HA5 inhibits Streptococcus mutans biofilm with an IC50 value of 6.42 μM, without affecting its growth. HA5 also inhibits Streptococcus mutans glucan production and eDNA levels[1].

  • CAS Number: 2378406-17-6
  • MF: C15H10O5
  • MW: 270.24
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SARS-CoV-2 3CLpro-IN-3

SARS-CoV-2 3CLpro-IN-3 (Compound 3d) is a SARS CoV-2 3CLpro inhibitor with antiviral, antibacterial and antifungal activities[1].

  • CAS Number: 2505241-13-2
  • MF: C23H21BrN6O2S
  • MW: 525.42
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AR-13503

AR-13503 a ROCK/PKC inhibitor, inhibiting angiogenesis and enhancing retinal pigment epithelium (RPE) permeability. AR-13503 also inhibits the formation of aberrant neovascularization (NV) in oxygen-induced retinopathy (OIR) model in mice[1][2].

  • CAS Number: 1254032-16-0
  • MF: C19H19N3O2
  • MW: 321.37
  • Catalog: ROCK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PF-06821497

PF-06821497 (compound 23a) is a potent, selective and orally active Enhancer of Zeste Homolog 2 (EZH2) inhibitor, with a Ki value <0.1 nM against mutant Y641N EZH2. Exhibits robust tumor growth inhibition[1].

  • CAS Number: 1844849-10-0
  • MF: C22H24Cl2N2O5
  • MW: 467.34
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ac-Asp-Glu-Val-Asp-AMC ammonium salt

Ac-DEVD-AMC is the Caspase-3 substrate. Sequence: N-Acetyl-Asp-Glu-Val-Asp-7-amido-4-Methylcoumarin.

  • CAS Number: 169332-61-0
  • MF: C30H37N5O13
  • MW: 675.641
  • Catalog: Peptides
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 1200.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 679.6±34.3 °C

cis-4-Hydroxy-L-proline hydrochloride

cis-4-Hydroxy-L-proline hydrochloride is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). cis-4-Hydroxy-L-proline hydrochloride is also a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1][2].

  • CAS Number: 441067-49-8
  • MF: C5H10ClNO3
  • MW: 167.591
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Macranthoidin A

Macranthoidin A is an orally active saponin from Flos Lonicerae. Macranthoidin A possess protection effects on hepatic injury caused by Acetaminophen, Cd, and CCl4, and conspicuous depressant effects on swelling of ear croton oil[1].

  • CAS Number: 140360-29-8
  • MF: C59H96O27
  • MW: 1237.377
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Avibactam

Avibactam free acid is a covalent, reversible β-lactamase inhibitor, inhibits β-lactamase TEM-1 and CTX-M-15 with IC50 of 8 nM and 5 nM, respectively.

  • CAS Number: 1192500-31-4
  • MF: C7H11N3O6S
  • MW: 265.244
  • Catalog: Bacterial
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chicoric acid

L-Chicoric acid is an inhibitor of human immunodeficiency virus type 1 (HIV-1) integrase in vitro and of HIV-1 replication in tissue culture. IC50 value:Target:In vitro: Using quantitative real-time polymerase chain reaction (PCR), l-CA inhibits integration at concentrations from 500 nM to 10 μM but also inhibits entry at concentrations above 1 μM [1]. l-Chicoric acid, an inhibitor of human immunodeficiency virus type 1 (HIV-1) integrase, improves on the in vitro anti-HIV-1 effect of Zidovudine plus a protease inhibitor (AG1350) [2]. L-chicoric acid inhibits integrase and that the drug is likely to interact at residues near the catalytic triad in the integrase active site [3].In vivo:

  • CAS Number: 70831-56-0
  • MF: C22H18O12
  • MW: 474.371
  • Catalog: Infection
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 785.0±60.0 °C at 760 mmHg
  • Melting Point: 206 °C
  • Flash Point: 272.9±26.4 °C

Capromorelin tartrate

Capromorelin Tartrate is an orally active, potent growth hormone secretagogue receptor (GHSR) agonist, with Ki of 7 nM for hGHS-R1a.

  • CAS Number: 193273-69-7
  • MF: C32H41N5O10
  • MW: 655.70
  • Catalog: GHSR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-2,3-dihydro-, (2S)-

Isocoreopsin (Flavanocorepsin) is an anticancer agent that can be isolated from Butea monosperma flowers[1].

  • CAS Number: 30382-18-4
  • MF: C21H22O10
  • MW: 434.39
  • Catalog: Cancer
  • Density: 1.597±0.06 g/cm3(Predicted)
  • Boiling Point: 779.0±60.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Moxisylyte hydrochloride

Moxisylyte (hydrochloride) is (alpha 1-blocker) antagonist,it can vasodilates cerebral vessels without reducing blood pressure。It is also used locally in the eye to reverse the mydriasis caused by phenylephrine and other sympathomimetic agents. [1][2]

  • CAS Number: 964-52-3
  • MF: C16H26ClNO3
  • MW: 315.83600
  • Catalog: Adrenergic Receptor
  • Density: 1.018g/cm3
  • Boiling Point: 371ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 178.2ºC

Antitubercular agent-39

Antitubercular agent-39 (Compound P1) is a potent antitubercular agent. Antitubercular agent-39 is active against drug-resistant strains and drug-susceptible clinical isolates. Antitubercular agent-39 inhibits Mtb strain H37Rv with a MIC less than 1 μM[1].

  • CAS Number: 1357796-08-7
  • MF: C26H30N4O2
  • MW: 430.54
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cyclo(-Arg-Gly-Asp-D-Phe-Lys) trifluoroacetate salt

Cyclo(-RGDfK) is a potent and selective inhibitor of the αvβ3 integrin, with an IC50 of 0.94 nM. Sequence: Cyclo(Arg-Gly-Asp-Phe-Lys).

  • CAS Number: 161552-03-0
  • MF: C27H41N9O7
  • MW: 603.670
  • Catalog: Peptides
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acid Yellow 9 monosodium salt

Acid Yellow 9 monosodium salt is an azo dye, degraded by Pseudomonas fluorescens as sole source of carbon, nitrogen and energy for the bacterium[1].

  • CAS Number: 74543-21-8
  • MF: C12H10N3NaO6S2
  • MW: 379.34
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

d,l-3-chloroalanine methyl ester hydrochloride

Methyl 2-amino-3-chloropropanoate hydrochloride is a serine derivative[1].

  • CAS Number: 33646-31-0
  • MF: C4H9Cl2NO2
  • MW: 174.026
  • Catalog: Others
  • Density: 1.212g/cm3
  • Boiling Point: 164.4ºC at 760 mmHg
  • Melting Point: 124-126°C
  • Flash Point: 53.2ºC

CE-224535

CE-224535 is a selective P2X7 receptor antagonist.

  • CAS Number: 724424-43-5
  • MF: C22H29ClN4O6
  • MW: 480.94
  • Catalog: P2X Receptor
  • Density: 1.47g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(9Z,11E)-Tetradecadien-1-yl acetate

(9Z,11E)-Tetradecadien-1-yl acetate is the main component of the sex pheromone of female Spodoptera littoralis.

  • CAS Number: 50767-79-8
  • MF: C16H28O2
  • MW: 252.39200
  • Catalog: Endocrinology
  • Density: 0.89g/cm3
  • Boiling Point: 378ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 107.1ºC

SMD-3040 intermediate-2

SMD-3040 intermediate-2 is an intermediate in the synthesis of SMD-3040 (HY-156568). SMD-3040 contains SMARCA2/4 ligands, linker and VHL ligands and is a selective SMARCA2 degrader. MD-3040 can be used for ADC drug synthesis and has strong tumor growth inhibition in tumor xenograft models[1].

  • CAS Number: 2632308-00-8
  • MF: C21H28ClN3O2
  • MW: 389.92
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Deoxycorticosterone acetate

Deoxycorticosterone acetate is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as a precursor to aldosterone.

  • CAS Number: 56-47-3
  • MF: C23H32O4
  • MW: 372.498
  • Catalog: Mineralocorticoid Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 504.1±50.0 °C at 760 mmHg
  • Melting Point: 157°C
  • Flash Point: 218.0±30.2 °C

Alismanol M

Alismanol M is a farnesoid X receptor (FXR) agonist with an EC50 value of 50.25 μM. Alismanol M is a protostane-type triterpenoid that can be isolated from the rhizome of Alisma orientale. Alismanol M can be used for the research of cholestasis and nonalcoholic steatohepatitis[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Maximin H3

Maximin H3 is an antimicrobial peptide derived from the skin secretions of Chinese red belly toad Bombina maxima. Maximin H3 has activity against Escherichia coli ATCC25922, Staphylococcus aureus ATCC2592, Bacillus pyocyaneus CMCCB1010 and Candida albicans ATCC2002, the MIC values are 20, 10, 20, 5 μg/ml, respectively[1].

  • CAS Number: 853262-62-1
  • MF: C92H166N24O21
  • MW: 1944.45
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chktide

Chktide is a substrate for CHK1 and CHK2. Chktide can be used in kinase assays[1][2].

  • CAS Number: 289652-77-3
  • MF: C115H198N40O33S
  • MW: 2701.12
  • Catalog: Checkpoint Kinase (Chk)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antimicrobial agent-1

Antimicrobial agent-1 (compound 6C) possesses potent activity against TolC mutant E. coli with an MIC value of 2 μg/mL. Antimicrobial agent-1 and Colistin exhibit synergistic activity against Gram-negative bacteria. Antimicrobial agent-1 has no cytotoxicity on mammalian cell lines, with MICs > 128 μg/mL in Caco-2 and Vero cell lines[1].

  • CAS Number: 2579696-45-8
  • MF: C22H21N3O2S
  • MW: 391.49
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide,dihydrochloride

Thiothixene hydrochloride is an antipsychotic agent. Thiothixene hydrochloride can be used for borderline and schizotypal disorder research[1].

  • CAS Number: 49746-04-5
  • MF: C23H31Cl2N3O2S2
  • MW: 516.54700
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Amino-PEG6-alcohol

Amino-PEG6-OH is a non-cleavable 6 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 39160-70-8
  • MF: C12H27NO6
  • MW: 281.346
  • Catalog: ADC Linker
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 388.0±37.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 188.5±26.5 °C

Cyclopropylamine-d5

Cyclopropylamine-d5 is the deuterium labeled Cyclopropanamine[1].

  • CAS Number: 153557-95-0
  • MF: C3H2D5N
  • MW: 62.125
  • Catalog: Others
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 49.3±8.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: -25.6±0.0 °C