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

Odoroside H

Odoroside H is a natural cardenolide with anticancer activities[1].

  • CAS Number: 18810-25-8
  • MF: C30H46O8
  • MW: 534.68
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 700.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 224.9±26.4 °C

Ociperlimab

Ociperlimab is a humanized IgG1 anti-TIGIT antibody. Ociperlimab binds to the extracellular domain of human TIGIT with high affinity (KD = 0.135 nM). Ociperlimab blocks the interaction between TIGIT and its ligands PVR or PVR-L2. Ociperlimab can be used in research of cancer[1][2].

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

Seltorexant

Seltorexant (JNJ-42847922) is an orally active, high-affinity, and selective OX2R antagonist (pKi values of 8.0 and 8.1 for human and rat OX2R). Seltorexant (JNJ-42847922) crosses the blood-brain barrier and quickly occupies OX2R binding sites in the rat brain[1].

  • CAS Number: 1293281-49-8
  • MF: C21H22FN7O
  • MW: 407.44
  • Catalog: Orexin Receptor (OX Receptor)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sivelestat sodium salt hydrate

Sivelestat(ONO5046; LY544349; EI546) is a competitive inhibitor of human neutrophil elastase(IC50 = 44 nM; Ki=200 nM); also inhibited leukocyte elastase obtained from rabbit, rat, hamster and mouse.IC50 value: 44 nM [1]Target: neutrophil elastaseONO-5046 did not inhibit trypsin, thrombin, plasmin, plasma kallikrein, pancreas kallikrein, chymotrypsin and cathepsin G even at 100 microM. In in vivo studies, ONO-5046 suppressed lung hemorrhage in hamster (ID50 = 82 micrograms/kg) by intratracheal administration and increase of skin capillary permeability in guinea pig (ID50 = 9.6 mg/kg) by intravenous administration, both of which were induced by human neutrophil elastase [1]. Sivelestat sodium hydrate is an anti-neutrophil elastase inhibitor and may be one of the treatment options for acute respiratory failure due to pneumocystis pneumonia in AIDS patients [2].

  • CAS Number: 127373-66-4
  • MF: C20H22N2O7S
  • MW: 434.463
  • Catalog: Elastase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antitumor agent-110

Antitumor agent-110 (compound 13) is an anticancer imidazotetrazine with good permeability properties. Antitumor agent-110 arrests cell cycel at G2/M phase, and induces apoptosis[1].

  • CAS Number: 2563879-93-4
  • MF: C10H6N6OS
  • MW: 258.26
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Enrofloxacin

Enrofloxacin is an effective antibiotic with an MIC90 of 0.312 μg/mL for Mycoplasma bovis.

  • CAS Number: 93106-60-6
  • MF: C19H22FN3O3
  • MW: 359.395
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 560.5±50.0 °C at 760 mmHg
  • Melting Point: 225 °C
  • Flash Point: 292.8±30.1 °C

Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Br

Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Br is an ADC linker that can be used to synthesize ABBV-154, ABBV-927, ABBV-368 or their analogs[1].

  • CAS Number: 2344809-82-9
  • MF: C44H51BrN3O14P
  • MW:
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HSV-gB2 498-505

HSV-gB2 (498-505) is an immunodominant epitope from herpes simplex virus (HSV) glycoprotein B residues 498-505, acts as H-2Kb-restricted and HSV-1/2-cross-reactive cytotoxic T-lymphocyte (CTL) recognition epitope[1].

  • CAS Number: 149997-91-1
  • MF: C41H67N11O13
  • MW: 922.04
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(rac)-Nebivolol-d4

(Rac)-Nebivolol-d4 ((Rac)-R 065824-d4) is a labelled racemic Nebivolol. Nebivolol selectively inhibits β1- adrenergic receptor with IC50 of 0.8 nM[1][2].

  • CAS Number: 1219407-55-2
  • MF: C22H21D4F2NO4
  • MW: 409.46
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BMT-297376

BMT-297376, the optimized Linrodostat, is a potent IDO1 inhibitor[1].

  • CAS Number: 2251031-81-7
  • MF: C23H29F2N3O3
  • MW: 433.49
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anticancer agent 83

Anticancer agent 83 is a potent anticancer agent, inhibits LOX IMVI cells growth with a GI50 value of 0.15 mM. Anticancer agent 83 reduces mitochondrial membrane potential and induces DNA damage to induces leukemia cells apoptosis[1].

  • CAS Number: 904815-29-8
  • MF: C20H19N5OS
  • MW: 377.46
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sibrafiban

Sibrafiban (RO 48-3657) is the orally active, nonpeptide, double-prodrug of Ro 44-3888 and a selective glycoprotein IIb/IIIa receptor antagonist. Sibrafiban inhibits platelet aggregation[1][2][3].

  • CAS Number: 172927-65-0
  • MF: C20H28N4O6
  • MW: 420.46000
  • Catalog: Integrin
  • Density: 1.33g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vofopitant dihydrochloride

Vofopitant dihydrochloride (GR 205171A) is a potent, selective and orally available tachykinin neurokinin 1(NK1) receptor antagonist, inhibits [3H]SP binding to the NK1 receptor with pKi values of 9.5 and 10.6 in rat and human membranes respectively, acts as a potential broad-spectrum anti-emetic agent[1].

  • CAS Number: 168266-51-1
  • MF: C21H25Cl2F3N6O
  • MW: 505.36400
  • Catalog: Neurokinin Receptor
  • Density: N/A
  • Boiling Point: 542.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 281.9ºC

H-β-Ala-β-Ala-OH

N-β-Alanyl-β-alanine (NSC 97926) is a biologically active peptide.

  • CAS Number: 2140-53-6
  • MF: C6H12N2O3
  • MW: 160.17100
  • Catalog: Others
  • Density: 1.215 g/cm3
  • Boiling Point: 448.2ºC at 760 mmHg
  • Melting Point: 212°C (lit.)
  • Flash Point: 224.9ºC

Glutaryl-Gly-Arg-AMC hydrochloride salt

Glutaryl-Gly-Arg-AMC is a peptide substrate of urokinase plasminogen activator (uPA)[1].

  • CAS Number: 65147-16-2
  • MF: C10H14ClN
  • MW: 183.67800
  • Catalog: PAI-1
  • Density: 1.45g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DDO-02005 free base

DDO-02005 (free base) is a potent Kv1.5 potassium channel inhibitor with an IC50 value of 0.72 μM. DDO-02005 (free base) has good anti-atrial fibrillation (AF) effect in CaCl2-ACh AF rats model and effective anti-arrhythmic activity caused by aconitine[1].

  • CAS Number: 1186134-30-4
  • MF: C21H25N3O2
  • MW: 351.44
  • Catalog: Potassium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Biotin-PEG8-alcohol

Biotin-PEG8-alcohol is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2182601-20-1
  • MF: C26H49N3O10S
  • MW: 595.75
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6'-O-beta-D-Glucosylgentiopicroside

6'-O-beta-D-Glucosylgentiopicroside is a secoiridoid isolated from the roots of G. straminea. 6'-O-beta-D-Glucosylgentiopicroside strongly suppresses N-formyl-methionyl-leucyl-phenylalanine (fMLP)-induced superoxide generation[1].

  • CAS Number: 115713-06-9
  • MF: C22H30O14
  • MW: 518.465
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 860.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 294.4±27.8 °C

CXCR4 modulator-2

CXCR4 modulator-2 (compound Z7R) is a highly potent CXCR4 modulator with an IC50 value of 1.25 nM. CXCR4 modulator-2 has acceptable stability (t1/2 = 77.1 min) in mouse serum and exhibits anti-inflammatory activity in mouse edema model[1].

  • CAS Number: 2488943-55-9
  • MF: C21H32N8O2
  • MW: 428.53
  • Catalog: CXCR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GW 627368

GW627368(GW627368X) is a novel, potent and selective competitive antagonist of prostanoid EP4 receptor(Ki= 100 nM) with additional human TP receptor affinity(Ki= 150 nM).IC50 value: Target: EP4 antagonistin vitro: At recombinant human prostanoid EP4 receptors expressed in HEK293 cells, GW627368X produced parallel rightward shifts of PGE2 concentration-effect (E/[A]) curves resulting in an affinity (pKb) estimate of 7.9 +/- 0.4. GW627368X appears to bind to human prostanoid TP receptors but not the TP receptors of other species. In human washed platelets, GW627368X (10 microM) produced 100% inhibition of U-46619 (EC100)-induced aggregation (approximate pA2 approximately 7.0) [1]. in vivo: Oral administration of GW627368X showed significant tumor regression characterized by tumor reduction and induction of apoptosis. Reduction in prostaglandin E2 synthesis also led to reduced level of VEGF in plasma [2].

  • CAS Number: 439288-66-1
  • MF: C30H28N2O6S
  • MW: 544.618
  • Catalog: Prostaglandin Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Velpatasvir-d7

Velpatasvir-d7 (GS-5816-d7) is the deuterium labeled Velpatasvir. Velpatasvir (GS-5816) is a novel pan-genotypic hepatitis C virus (HCV) nonstructural protein 5A (NS5A) inhibitor with activity against genotype 1 (GT1) to GT6 HCV replicons. Velpatasvir is also a SARS-CoV 3CLpro inhibitor with an IC50 of 2.16 μM[2].

  • CAS Number: 2172676-02-5
  • MF: C49H47D7N8O8
  • MW: 890.04
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MMP-2/9-IN-1

MMP-2/9-IN-1 (Compound 4a) is a potent dual MMP-2 and MMP-9 inhibitor with IC50 values of 56 nM and 38 nM, respectively. MMP-2/9-IN-1 inhibits tumor growth, strongly induces cancer cell apoptosis, inhibits cell migration, and suppresses cell cycle progression leading to DNA fragmentation[1].

  • CAS Number: 2415311-84-9
  • MF: C14H16IN7S
  • MW: 441.29
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

mAChR-IN-1 hydrochloride

mAChR-IN-1 hydrochloride is a potent muscarinic cholinergic receptor (mAChR) antagonist, with an IC50 of 17 nM[1].

  • CAS Number: 119391-73-0
  • MF: C23H26ClIN2O2
  • MW: 524.82
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dihydroresveratrol

Dihydroresveratrol, a potent phytoestrogen, is a hormone receptor modulator. Dihydroresveratrol exhibits proliferative effects in androgen-independent prostate and breast cancer cells at picomolar and nanomolar concentrations[1].

  • CAS Number: 58436-28-5
  • MF: C14H14O3
  • MW: 230.259
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 430.3±14.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 210.9±14.7 °C

Shizukaol D

Shizukaol D is a dimeric sesquiterpene isolated from Chloranthus serratus. Shizukaol D induces apoptosis and attenuated Wnt signalling[1].

  • CAS Number: 142279-42-3
  • MF: C33H38O9
  • MW: 578.65
  • Catalog: Apoptosis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 780.8±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 253.4±26.4 °C

Tyk2-IN-8

Tyk2-IN-8 (compound 10) is a selective TYK2 inhibitor, which binds to TYK2 catalytically active JH1 domain with an IC50 of 17 nM, used in the treatment of psoriasis[1].

  • Density: 1.46±0.1 g/cm3(Predicted)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tephrosin

Tephrosin is a natural rotenoid which has potent antitumor activities. Tephrosin induces degradation of of EGFR and ErbB2 by inducing internalization of the receptors[1].

  • CAS Number: 76-80-2
  • MF: C23H22O7
  • MW: 410.417
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 623.4±55.0 °C at 760 mmHg
  • Melting Point: 198° (218-220°)
  • Flash Point: 219.3±25.0 °C

Methyl isocyanatoformate

Methoxycarbonyl isocyanate can be used for compound synthesis[1].

  • CAS Number: 5843-42-5
  • MF: C3H3NO3
  • MW: 101.06100
  • Catalog: Others
  • Density: 1.251 g/mL at 25ºC(lit.)
  • Boiling Point: 97ºC(lit.)
  • Melting Point: N/A
  • Flash Point: 87 °F

L67

L67 is a novel, competitive human DNA ligase inhibitor, inhibits DNA ligases I and III with IC50 of 10 μM and 10 μM.IC50 value: 10 μM [1]Target: DNA ligasesin vitro: L67 significantly increases the cytotoxicity of DNA damaging agents.[1] L67 also inhibits cell proliferation. [2]

  • CAS Number: 325970-71-6
  • MF: C16H14Br2N4O4
  • MW: 486.115
  • Catalog: DNA/RNA Synthesis
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MI-1061

MI-1061 is a potent, orally bioavailable, and chemically stable MDM2 (MDM2-p53 interaction) inhibitor (IC50=4.4 nM; Ki=0.16 nM). MI-1061 potently activates p53, induces apoptosis, and has anti-tumor activity[1].

  • CAS Number: 1410737-34-6
  • MF: C30H26Cl2FN3O4
  • MW: 582.45
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A