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

Amuvatinib hydrochloride

Amuvatinib hydrochloride (MP470 hydrochloride) is a multi-targeted receptor tyrosine kinases inhibitor, which inhibits c-Kit (D816V), c-Kit (D816H), c-Kit (V560G), c-Kit (V654A), PDGFRα (D842V), and PDGFRα (V561D) with IC50s of 950 nM, 10 nM, 34 nM, 127 nM, 81 nM, and 40 nM, respectively[1]. Antineoplastic activity[2].

  • CAS Number: 1055986-67-8
  • MF: C23H21N5O3S.xHCl
  • MW: 483.97000
  • Catalog: c-Kit
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N,N'-[[5-[2-Amino-5-(2,2-dimethyl-1-oxopropyl)-4-thiazolyl]-2-furanyl]phosphinylidene]bis[2-methylalanine] diethyl ester

MB07803 is an orally available prodrug of a potent, noncompetitive inhibitor (MB07729) of fructose 1,6-bisphosphatase (FBPase), with EC50 of 140 nM and t1/2 of 7.6±2.9 h.

  • CAS Number: 882757-24-6
  • MF: C24H37N4O7PS
  • MW: 556.61
  • Catalog: Metabolic Disease
  • Density: 1.26
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7'-Hydroxy ABA

7'-Hydroxy ABA (7'-OH ABA) is a metabolite of Abscisic acid (Abscisic acid) through hydroxylation of the 7′-carbon atom of Abscisic acid. 7'-Hydroxy ABA exhibits significant hormonal activity[1].

  • CAS Number: 91897-25-5
  • MF: C15H20O5
  • MW: 280.316
  • Catalog: Metabolic Disease
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 522.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 283.8±26.6 °C

Lurasidone-d8

Lurasidone-d8 is deuterium labeled Lurasidone. Lurasidone (SM-13496) is an antagonist of both dopamine D2 and 5-HT7 with IC50s of 1.68 and 0.495 nM, respectively. Lurasidone (SM-13496) is also a partial agonist of 5-HT1A receptor with an IC50 of 6.75 nM.

  • CAS Number: 1132654-54-6
  • MF: C28H28D8N4O2S
  • MW: 500.73
  • Catalog: 5-HT Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 623.4±55.0 °C at 760 mmHg
  • Melting Point: 259-261°C (dec.)
  • Flash Point: 330.8±31.5 °C

THDOC

3α,21-Dihydroxy-5α-pregnan-20-one (THDOC), an endogenous neurosteroid, is a positive modulator of GABAA receptors. 3α,21-Dihydroxy-5α-pregnan-20-one potentiates neuronal response to low concentrations of GABA at α4β1δ GABAA receptors in vitro.

  • CAS Number: 567-02-2
  • MF: C21H34O3
  • MW: 334.49300
  • Catalog: GABA Receptor
  • Density: 1.115g/cm3
  • Boiling Point: 470.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 252.3ºC

Aeide-C1-NHS ester

Aeide-C1-NHS ester is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 824426-32-6
  • MF: C6H6N4O4
  • MW: 198.13600
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MC-GGFG-NH-CH2-O-CH2-cyclopropane-COOH

MC-GGFG-NH-CH2-O-CH2-cyclopropane-COOH is an ADC linker that can be combined with the cytotoxic Camptothecin (HY-16560) to form ADC-related drug-linker conjugates (Drug-Linker Conjugates for ADC ).MC-GGFG-NH-CH2-O-CH2-cyclopropane-COOH is conjugated to Camptothecin, which can further bind to the antibody Trastuzumab (HY-P9907) to form Antibody-Drug Conjugates (ADCs)[1].

  • CAS Number: 2778374-70-0
  • MF: C31H40N6O10
  • MW: 656.68
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Polyphemusin II-Derived Peptide

Polyphemusin II-Derived Peptide (T140), a CXCR4 inhibitor, shows high inhibitory activity against HIV-1 entry and the inhibitory effect on the binding of an anti-CXCR4 monoclonal antibody (12G5) to CXCR4[1].

  • CAS Number: 229030-20-0
  • MF: C90H141N33O18S2
  • MW:
  • Catalog: CXCR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6-Methylcoumarin

6-Methylcoumarin is a synthetic fragrance widely used in cosmetics.

  • CAS Number: 92-48-8
  • MF: C10H8O2
  • MW: 160.169
  • Catalog: HBV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 304.6±21.0 °C at 760 mmHg
  • Melting Point: 73-76 °C(lit.)
  • Flash Point: 124.3±19.5 °C

Aspergillus acid protease

Aspergillopepsin I (Aspergillus acid protease) is an aspartic endopeptidase that catalyses the hydrolysis of peptide bonds in proteins, with broad specificity[1].

  • CAS Number: 9025-49-4
  • MF: C12H12N2O3
  • MW: 232.235
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 413.1±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 203.6±28.7 °C

Enuvaptan

Enuvaptan is a vasopressin receptor antagonist and has the potential for research into renal and cardiovascular diseases[1].

  • CAS Number: 2145062-48-0
  • MF: C21H15ClF6N8O3
  • MW: 576.84
  • Catalog: Vasopressin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

8-(2-Octyl-1-cyclopropen-1-yl)octanoic acid

Sterculic acid is a stearoyl-CoA desaturase-1 (SCD1) inhibitor. Sterculic acid specifically inhibits the delta-9 desaturase (Δ9D) activity with an IC50 value of 0.9 μM[1].

  • CAS Number: 738-87-4
  • MF: C19H34O2
  • MW: 294.472
  • Catalog: Stearoyl-CoA Desaturase (SCD)
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 418.7±24.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 315.4±18.0 °C

E3 ligase Ligand 11

E3 ligase Ligand 13 is a ligand for E3 ubiquitin ligase. E3 ligase Ligand 13 can be connected to the ligand for protein by a linker to form PROTACs or SNIPERs. PROTACs are inducers of ubiquitination-mediated degradation of cancer-promoting proteins[1].

  • CAS Number: 2357114-70-4
  • MF: C34H40N4O6S
  • MW: 632.77
  • Catalog: Ligand for E3 Ligase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-Homopropargylglycine hydrochloride

L-Homopropargylglycine hydrochloride is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs. L-homopropargylglycine hydrochloride is an amino acid analog of methionine containing an alkyne moiety that can undergo a classic click chemical reaction with azide containing Alexa Fluor[1][2].

  • CAS Number: 942518-19-6
  • MF: C6H10ClNO2
  • MW: 163.60
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Valrubicin

Valrubicin is a chemotherapy agent, inhibits TPA- and PDBu-induced PKC activation with IC50s of 0.85 and 1.25 μM, respectively, and has antitumor and antiinflammatory activity.

  • CAS Number: 56124-62-0
  • MF: C34H36F3NO13
  • MW: 723.644
  • Catalog: PKC
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 867.7±65.0 °C at 760 mmHg
  • Melting Point: 116-117ºC
  • Flash Point: 478.6±34.3 °C

Navafenterol

Navafenterol (AZD-8871) is an inhaled dual-acting, potent, selective, and long-lasting M3-antagonist/β2-agonist (MABA) with long-lasting effects and favorable safety profile. The pIC50 is 9.5 for human M3 receptor, and the pEC50 is 9.5 for β2-adrenoceptor. Navafenterol can be used for the research of chronic obstructive pulmonary disease (COPD). Bronchoprotective and antisialagogue effects. Favorable cardiovascular profile[1].

  • CAS Number: 1435519-06-4
  • MF: C38H42N6O6S2
  • MW: 742.91
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Halofantrine

Halofantrine (SKF-102886 free base) is a highly lipophilic antimalarial active against Chloroquine-resistant strains of Plasmodium falciparum[1]. Halofantrine blocks HERG potassium channels[2].

  • CAS Number: 69756-53-2
  • MF: C26H30Cl2F3NO
  • MW: 500.42400
  • Catalog: Potassium Channel
  • Density: 1.244 g/cm3
  • Boiling Point: 596.2ºC at 760 mmHg
  • Melting Point: 136-138ºC
  • Flash Point: 314.4ºC

Rhodamine 6G hydrazide

Rhodamine 6G hydrazide (R6GH) is a fluorescent dye. Rhodamine 6G hydrazide can be used in selective colorimetric and fluorescent sensing[1].

  • CAS Number: 932013-08-6
  • MF: C26H28N4O2
  • MW: 428.52600
  • Catalog: Others
  • Density: 1.30±0.1 g/cm3 (20 °C, 760 mmHg)
  • Boiling Point: 623.4±65.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

Glyoxalase I inhibitor 2

Glyoxalase I inhibitor 2 (compound 26) is a potent glyoxalase I (GLO1) inhibitor with an IC50 of 0.5 µM. Glyoxalase I inhibitor 2 has the potential for the research of depression and anxiety[1].

  • CAS Number: 2314467-61-1
  • MF: C24H23N3O4S
  • MW: 449.52
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIV-1 protease-IN-2

HIV-1 protease-IN-2 is a potent HIV-1 protease inhibitor with an IC50 of 2.53 nM. HIV-1 protease-IN-2 shows antiviral activity against DRV (Darunavir)-sensitive or DRV-resistant HIV-1 variants[1].

  • CAS Number: 2248124-46-9
  • MF: C27H34N4O7S
  • MW: 558.65
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Angelicain

Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1].

  • CAS Number: 49624-66-0
  • MF: C15H16O6
  • MW: 292.284
  • Catalog: Inflammation/Immunology
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 534.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 203.4±23.6 °C

N-Octylmaleimide

N-Octylmaleimide is an alkylmaleimide, which can inhibit rat liver glucose 6-phosphatase[1].

  • CAS Number: 4080-76-6
  • MF: C12H19NO2
  • MW: 209.28
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 35-37ºC
  • Flash Point: N/A

Nargenicin A1

Nargenicin A1 is an antibiotic agent against various Gram-positive bacteria. Nargenicin A1 shows anti-inflammatory activity. Nargenicin A1 protects HINAE cells against Tacrolimus (HY-13756)-induced DNA damage and apoptosis. Nargenicin A1 can also be used for the research of acute myeloid leukemia[1].

  • CAS Number: 70695-02-2
  • MF: C28H37NO8
  • MW: 515.60
  • Catalog: Bacterial
  • Density: 1.31g/cm3
  • Boiling Point: 718.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 388.2ºC

2-arachidonoylglycerol

2-Arachidonoylglycerol is a second endogenous cannabinoid ligand in the central nervous system.

  • CAS Number: 53847-30-6
  • MF: C23H38O4
  • MW: 378.545
  • Catalog: Cannabinoid Receptor
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 508.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 163.0±23.6 °C

Boc-L-Tyr(PEG(3)-N3)-OH

Boc-L-Tyr(PEG(3)-N3)-OH is a click chemistry agent containing azide.

  • CAS Number: 1831059-64-3
  • MF: C20H30N4O7
  • MW: 438.47
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Piketoprofen

Piketoprofen is a non-steroidal anti-inflammatory reagent that can be used as a cream preparation for the study of soft tissue rheumatism[1].

  • CAS Number: 60576-13-8
  • MF: C22H20N2O2
  • MW: 344.41
  • Catalog: Inflammation/Immunology
  • Density: 1.195g/cm3
  • Boiling Point: 583.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 306.7ºC

Tubulysin A

Tubulysin A(TubA) is a myxobacterial product that can function as an antiangiogenic agent in many in vitro assays; anti-microtubule, anti-mitotic, an apoptosis inducer, anticancer, anti-angiogenic, and antiproliferative.IC50 value: Target: microtubuleTubulysin A is a novel antibiotic, which is anti-microtubule, anti-mitotic, apoptosis inducer, anticancer, anti-angiogenic, and antiproliferative. Tubulysins are cytotoxic peptides, which include 9 members (A-I). Tubulysin A has potential application as an anticancer agent. It arrests cells in the G2/M phase. Tubulysin A inhibits polymerization more efficiently than vinblastine and induces depolymerization of isolated microtubules. Tubulysin A has potent cytostatic effects on various tumor cell lines with IC50 in the picomolar range.

  • CAS Number: 205304-86-5
  • MF: C43H65N5O10S
  • MW: 844.06900
  • Catalog: ADC Cytotoxin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mivotilate

Mivotilate is a nontoxic, potent activator of the aryl hydrocarbon receptor (AhR), and acts as a hepatoprotective agent.

  • CAS Number: 130112-42-4
  • MF: C12H14N2O3S3
  • MW: 330.44600
  • Catalog: Aryl Hydrocarbon Receptor
  • Density: 1.467g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

THR-β agonist 5

THR-β agonist 5 (compound 54) is a potent THR-β agonist, with an EC50 of <50 nM[1].

  • CAS Number: 2542029-74-1
  • MF: C22H23N5O2
  • MW: 389.45
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LHF-535

LHF-535 is an antiviral agent extracted from patent WO2013123215A2, Compound 38, has EC50s of <1 μM, <1 μM, <1 μM, and 1-10 μM for Lassa, Machupo, Junin, and VSVg virus, respectively[1].

  • CAS Number: 1450929-77-7
  • MF: C27H28N2O2
  • MW: 412.52
  • Catalog: Arenavirus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A