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

ShK-Dap22

ShK-Dap22 is a potent Kv1.3-specific immunosuppressive Polypeptide. ShK-Dap22 is a selective Kv1.3 channel blocker with IC50s of 23 pM, 1.8 nM, 10.5 nM, 37 nM, and 39 nM for mKv1.3, mKv1.1, hKv1.6, mKv1.4, and rKv1.2 channels, respectively[1].

  • CAS Number: 220384-25-8
  • MF: C166H268N54O48S7
  • MW:
  • Catalog: Potassium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Epivitexolide D

Vitexolide E is a diterpenoid compound isolated from the leaves of the Malaysian species Vitex vestita. Vitexolide E shows cytotoxic activities against the HCT-116 cancer cell line and human fetal lung fibroblast MRC5 cell line[1].

  • CAS Number: 958885-86-4
  • MF: C20H30O3
  • MW: 318.45
  • Catalog: Cancer
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 468.0±20.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 187.5±14.5 °C

Tet-213

Tet-213 is a antimicrobial peptide. Tet-213 has broad spectrum antibacterial activity. Tet-213 can promote infected wound repair[1].

  • CAS Number: 1260528-09-3
  • MF: CK2W4
  • MW: 825.57
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Orlistat

Orlistat is a lipase inhibitor for obesity management that acts by inhibiting the absorption of dietary fats.

  • CAS Number: 96829-58-2
  • MF: C29H53NO5
  • MW: 495.735
  • Catalog: Apoptosis
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 615.9±30.0 °C at 760 mmHg
  • Melting Point: <50ºC
  • Flash Point: 326.3±24.6 °C

(2S)-2-Amino-3-(4-biphenylyl)propanoic acid

D-Biphenylalanine is a phenylalanine derivative[1].

  • CAS Number: 170080-13-4
  • MF: C15H15NO2
  • MW: 241.285
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 428.6±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 213.0±27.3 °C

Temsirolimus (CCI-779)

Temsirolimus is an inhibitor of mTOR with an IC50 of 1.76 μM.

  • CAS Number: 162635-04-3
  • MF: C56H87NO16
  • MW: 1030.287
  • Catalog: mTOR
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 1048.4±75.0 °C at 760 mmHg
  • Melting Point: 99-101ºC
  • Flash Point: 587.8±37.1 °C

IL-1β-IN-1

IL-1β-IN-1, cannabidiol derivative, is a potent IL-1β inhibitor. IL-1β-IN-1 has anti-inflammatory and pain-resolving properties[1].

  • CAS Number: 2780364-50-1
  • MF: C22H34O2
  • MW: 330.50
  • Catalog: Interleukin Related
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CSF1R-IN-13

CSF1R-IN-13 is a potent inhibitor of CSF1R. Colony stimulating factor 1 (CSF-1, also known as macrophage colony stimulating factor, M-CSF) is an important growth factor that controls bone marrow progenitor cells, monocytes, macrophages, and giants. CSF1R-IN-13 has the potential for the research of cancer diseases (extracted from patent WO2019134661A1, compound 32)[1].

  • CAS Number: 2361556-61-6
  • MF: C21H20N4O3
  • MW: 376.41
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CEP-9722

CEP-9722, the prodrug of CEP-8983, is a selective and orally active PARP-1 and PARP-2 inhibitor with IC50s of 20 nM and 6 nM, respectively. CEP-9722 has anticancer effects[1][2].

  • CAS Number: 916574-83-9
  • MF: C24H26N4O3
  • MW: 418.49
  • Catalog: PARP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AV-153

AV-153, a 1,4-dihydropyridine (1,4-DHP) derivative, is an antimutagenic. AV-153 intercalates to DNA in a single strand break and reduces DNA damage, stimulates DNA repair in human cells in vitro. AV-153 interacts with thymine and cytosine and has an influence on poly(ADP)ribosylation. AV-153 has anti-cancer activity[1][2][3].

  • CAS Number: 27296-05-5
  • MF: C14H18NNaO6
  • MW: 319.28600
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: 450.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: N/A

BI-2493

BI-2493 is a non-covalent and pan KRAS inhibitor. BI-2493 inhibits the interaction of GDP-bound KRAS with SOS1 in a biochemical assay using recombinant proteins with IC50s < 11nM. BI-2493 can be used in studies about KRAS-driven cancers.

  • CAS Number: 2937344-16-4
  • MF: C24H27N7OS
  • MW: 461.58
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SU5208

SU5208 inhibits vascular endothelial growth factor receptor-2 (VEGFR2)[1].

  • CAS Number: 62540-08-3
  • MF: C13H9NOS
  • MW: 227.28200
  • Catalog: VEGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

alpha-Lapachone

α-Lapachone shows trypanocidal activity[1].

  • CAS Number: 4707-33-9
  • MF: C15H14O3
  • MW: 242.270
  • Catalog: Infection
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 372.9±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 165.5±27.9 °C

Hg-7-85-01

HG-7-85-01 is a type II ATP competitive inhibitor of wild-type and gatekeeper mutations forms of Bcr-Abl, PDGFRα, Kit, and Src kinases. HG-7-85-01 inhibits T315I mutant Bcr-Abl kinase, KDR and RET with IC50s of 3 nM, 20 nM and 30 nM, and is only weak or no inhibition of other kinases (IC50>2 μM). HG-7-85-01 inhibits the cell proliferation, which is mediated by the induction of apoptosis, and inhibition of cell-cycle progression[1].

  • CAS Number: 1258391-13-7
  • MF: C31H31F3N6O2S
  • MW: 608.68
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

fmoc-D-2-cyanophenylalanine

Fmoc-D-Phe(2-CN)-OH is a phenylalanine derivative[1].

  • CAS Number: 401620-74-4
  • MF: C25H20N2O4
  • MW: 412.437
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 666.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 356.6±31.5 °C

butafenacil

Butafenacil (WC-9717; CGA-276854) is an herbicide that inhibits protoporphyrinogen oxidase[1].

  • CAS Number: 134605-64-4
  • MF: C20H18ClF3N2O6
  • MW: 474.815
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 539.4±60.0 °C at 760 mmHg
  • Melting Point: 113ºC
  • Flash Point: 280.0±32.9 °C

sodium,3-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxycarbonylphenyl]methyl]-2-oxochromen-4-olate

Tecarfarin sodium (ATI-5923 sodium) is a novel orally active non-competitive vitamin K epoxide reductase (VKOR) antagonist, impairs the activation of the vitamin K-dependent clotting factors II, VII, IX and X[1]. Tecarfarin sodium has the antithrombotic activity, attenuates venous and arterial thrombus formation in animal models by reducing the levels of the vitamin K-dependent coagulation factors[2].

  • CAS Number: 1004551-83-0
  • MF: C21H13F6NaO5
  • MW: 482.30500
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sibiromycin

Sibiromycin is a naturally produced glycosylated pyrrolobenzodiazepines (PBDs). Sibiromycin is also a potent antitumor antibiotic that binds covalently to DNA in the minor groove at the NH2 of guanine[1][2].

  • CAS Number: 12684-33-2
  • MF: C24H31N3O7
  • MW: 473.51900
  • Catalog: DNA Alkylator/Crosslinker
  • Density: 1.41g/cm3
  • Boiling Point: 755.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 410.8ºC

Beta-D-Glucopyranosyl nitromethane

Beta-D-Glucopyranosyl nitromethane, as a salt of a strongly basic anion exchanger in the OH cycle, is a glycosyl derivative of nitromethane[1].

  • CAS Number: 81846-60-8
  • MF: C7H13NO7
  • MW: 223.18100
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Piceatannol

Piceatannol is a selective inhibitor of protein tyrosine kinase Syk. It could inhibit ICa,L, Ito, IKr, Ca2+ transients and Na+-Ca2+ exchange except IK1. Shows multiple biological activities such as anti-inflammatory, antiproliferative and immunomodulatory effects.In vitro: The treatment of human myeloid cells with piceatannol suppressed TNF-induced DNA binding activity of NF-κB. The effect of piceatannol was not restricted to myeloid cells, as TNF-induced NF-κB activation was also suppressed in lymphocyte and epithelial cells. Piceatannol also inhibited NF-κB activated by H2O2, PMA, LPS, okadaic acid, and ceramide. [1]

  • CAS Number: 10083-24-6
  • MF: C14H12O4
  • MW: 244.243
  • Catalog: Autophagy
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 507.3±38.0 °C at 760 mmHg
  • Melting Point: 223-227ºC
  • Flash Point: 252.2±21.4 °C

Nav1.7-IN-2

Nav1.7-IN-2 is an inhibitor of voltage-gated sodium channels (Nav), in particular Nav 1.7, with IC50 of 80 nM.IC50 value: 80 nMTarget: Nav 1.7Nav1.7-IN-2 is useful for the treatment of diseases treatable by inhibition of these channels, in particular, chronic pain disorder. The more detailed information please refer to WO 2011103196 A1. Nav1.7-IN-2 is a Nav1.7 channel inhibitor extracted from patent WO/2011103196 A1, compound example J, has an IC50 of 80 nM.

  • CAS Number: 1332295-35-8
  • MF: C22H22FN5O2
  • MW: 407.441
  • Catalog: Sodium Channel
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-(Biotin-amido)-1,3-bis(carboxylethoxy)propane

2-(Biotin-amido)-13-bis(carboxylethoxy)propane is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2086689-02-1
  • MF: C19H31N3O8S
  • MW: 461.53
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

S-(1-Hydroxy-2-methylpropan-2-yl) methanesulfonothioate

S-(1-Hydroxy-2-methylpropan-2-yl) methanesulfonothioate is a glutathione cleavable ADC linker used for the antibody-drug conjugates (ADCs) and refers to the Alkyl-Chain composition. S-(1-Hydroxy-2-methylpropan-2-yl) methanesulfonothioate is the linker portions of the molecules employed for mAb attachment purposes[1].

  • CAS Number: 2127875-65-2
  • MF: C5H12O3S2
  • MW: 184.28
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DSPE-PEG5-propargyl

DSPE-PEG5-propargyl is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2112737-93-4
  • MF: C55H104NO14P
  • MW: 1034.39
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

cypate

Cypate, a cyanine dye, is a near infrared (NIR) fluorescent probe for in vivo tumor imaging[1][2].

  • CAS Number: 95837-47-1
  • MF: C41H40N2O4
  • MW: 624.76700
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ALK-IN-9

ALK-IN-9 (compound 40) is a potent ALK inhibitor. ALK-IN-9 inhibits cell proliferation with IC50s of <0.2 nM, <0.2 nM, 0.2 nM for Ba/F3-EML4-ALK, KM 12 (TPM3-TRKA), KG-l cell (OP2-FGFR1), respectively[1].

  • CAS Number: 2359662-39-6
  • MF: C20H21FN6O3
  • MW: 412.42
  • Catalog: ALK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antitubercular agent-17

Antitubercular agent-17 (Compound 8a) is an antitubercular agent with MIC values of 2, 2, 2 and 128 µg/ml against M. tuberculosis H37Rv, Spec. 192, Spec 210 and Spec. 800, respectively. Antitubercular agent-17 shows highly selective antimycobacterial effects[1].

  • CAS Number: 2328751-33-1
  • MF: C14H12BrN5O
  • MW: 346.18
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chlorobutanol

Chlorobutanol is a pharmaceutical preservative with sedative-hypnotic actions. Chlorobutanol is active against a wide variety of Gram-positive and Gram-negative bacteria, and several mold spores and fungi[1][2].

  • CAS Number: 57-15-8
  • MF: C4H7Cl3O
  • MW: 177.457
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 167.0±0.0 °C at 760 mmHg
  • Melting Point: ~78 °C
  • Flash Point: 61.8±25.9 °C

Henatinib

Henatinib is an orally active small-molecule multikinase inhibitor that has demonstrated broad and potent antitumor activities. Henatinib inhibits the activity of VEGFR-2, c-kit, PDGFR with IC50 values of 0.6 nM, 3.3 nM and 41.5 nM, respectively. Henatinib significantly inhibits VEGFR-2 phosphorylation and its downstream signal pathway in human umbilical vein endothelial cells (HUVECs)[1].

  • CAS Number: 1239269-51-2
  • MF: C25H29FN4O4
  • MW: 468.52100
  • Catalog: c-Kit
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Arachidonoyl dopamine

N-Arachidonyldopamine is a potent and selective endogenous CB1 receptor agonist with a Ki of 250 nM[1]. N-Arachidonyldopamine is also a potent and selective TRPV1 agonist an with EC50 of ~ 50 nM[2].

  • CAS Number: 199875-69-9
  • MF: C28H41NO3
  • MW: 439.630
  • Catalog: Cannabinoid Receptor
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 640.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 340.8±31.5 °C