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

Cannabisin G

Cannabisin G is developed as a nutritional dietary supplement for immunocompromised individuals.

  • CAS Number: 163136-20-7
  • MF: C36H36N2O8
  • MW: 624.68
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antitubercular agent-25

Antitubercular agent-25 (Compound 28) is an anti-tubercular agent with an extracellular IC50 of 0.42 μM and an intracellular IC50 of 0.20 μM against M. tuberculosis H37Rv. Antitubercular agent-25 exhibits good metabolic stability[1].

  • CAS Number: 1845719-91-6
  • MF: C18H16N4O3S2
  • MW: 400.47
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MS-PEG3-THP

MS-PEG3-THP is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 357204-84-3
  • MF: C12H24O7S
  • MW: 312.38
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Prunasin

Prunasin is a inhibitor of DNA Polymerase β[1].

  • CAS Number: 99-18-3
  • MF: C14H17NO6
  • MW: 295.29
  • Catalog: DNA/RNA Synthesis
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 527.0±50.0 °C at 760 mmHg
  • Melting Point: 138-148ºC
  • Flash Point: 272.5±30.1 °C

7-Acetoxy-1-methylquinolinium iodide

7-Acetoxy-1-methylquinolinium iodide (AMQI) is a fluorogenic substrate for cholinesterase (Ex = 320 nm, Em = 410 nm). Hydrolysis of 7-acetoxy-1-methylquinolinium iodide is used at the fluorometric flow system for the detection and identification of inhibitors.[1].

  • CAS Number: 7270-83-9
  • MF: C12H12INO2
  • MW: 329.13400
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 222ºC(lit.)
  • Flash Point: N/A

Bcl-2/Bcl-xl inhibitor 1

Bcl-2/Bcl-xl inhibitor 1 (compound 6) is a dual Bcl-2 and Bcl-xl inhibitor with anti-tumor activity, extracted from patent WO2018027097A1. Bcl-2/Bcl-xl inhibitor 1 exhibits IC50 values of 2 nM and 5.9 nM for Bcl-2 and Bcl-xl, respectively[1].

  • CAS Number: 2180923-05-9
  • MF: C45H48ClN7O8S
  • MW: 882.42
  • Catalog: Bcl-2 Family
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LSP4–2022

LSP4–2022 is a novel potent, selective, brain-penetrant mGluR4 agonist with EC50 of 0.11 uM in cell-based assays; displays >100-fold selectivity over mGlu7 and mGlu8 (IC50=11.6 and 29.2 uM), no activity at the group I and -II mGlu receptors (EC50>100 uM); inhibits neurotransmission in cerebellar slices from mice, and possesses antiparkinsonian properties in a haloperidol-induced catalepsy test.

  • CAS Number: 1413405-33-0
  • MF: C13H18NO8P
  • MW: 347.26
  • Catalog: mGluR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(R)-5-Hydroxy-1,7-diphenylheptan-3-one

(R)-5-Hydroxy-1,7-diphenyl-3-heptanone is a diarylheptanoid that can be found in Alpinia officinarum. (R)-5-Hydroxy-1,7-diphenyl-3-heptanone ameliorates oxidative stress and insulin resistance via activation of Nrf2/ARE pathway[1].

  • CAS Number: 100761-20-4
  • MF: C19H22O2
  • MW: 282.38
  • Catalog: Keap1-Nrf2
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 473.8±33.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 201.4±18.0 °C

Topoisomerase I inhibitor 2

Topoisomerase I inhibitor 2 (ZML-8) is a highly selective inhibitor of DNA topoisomerase I (Top1). Topoisomerase I inhibitor 2 inhibits Top1 activity and results DNA damage. Topoisomerase I inhibitor 2 blocks G2/M phase and induces apoptosis, exhibits anti-tumor effect[1].

  • CAS Number: 2588211-44-1
  • MF: C18H15NO3
  • MW: 293.32
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isoarundinin II

Isoarundinin II is a stilbenoid compound[1].

  • CAS Number: 151538-56-6
  • MF: C22H22O4
  • MW: 350.41
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

m-PEG3-OMs

m-PEG3-OMs is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 74654-05-0
  • MF: C8H18O6S
  • MW: 260.30500
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PSI-7409 tetrasodium

PSI-7409 tetrasodium is an active 5'-triphosphate metabolite of sofosbuvir (PSI-7977), inhibiting HCV NS5B polymerases, with IC50s of 1.6, 2.8, 0.7 and 2.6 μM for GT 1b_Con1, GT 2a_JFH1, GT 3a, and GT 4a NS5B polymerases, respectively.

  • CAS Number: 1621884-22-7
  • MF: C10H16FN2Na4O14P3
  • MW: 588.09
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

E3 ligase Ligand-Linker Conjugates 39

E3 ligase Ligand-Linker Conjugates 39 incorporates a cIAP ligand for the E3 ubiquitin ligase, and a PROTAC linker. E3 ligase Ligand-Linker Conjugates 39 can be used to design PROTAC degrader[1].

  • CAS Number: 2113688-20-1
  • MF: C37H55N5O8S
  • MW: 729.93
  • Catalog: E3 Ligase Ligand-Linker Conjugate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2’-O-Me-2-thio-U-3’-phos phoramidite

2’-O-Me-2-thio-U-3’-phos phoramidite is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 302918-84-9
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Apixaban

Apixaban is a highly selective, reversible inhibitor of Factor Xa with Ki of 0.08 nM and 0.17 nM in human and rabbit, respectively.

  • CAS Number: 503612-47-3
  • MF: C25H25N5O4
  • MW: 459.497
  • Catalog: Factor Xa
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 770.5±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 419.8±32.9 °C

(R)-3-phenyl-2-(pyrazine-2-carboxamido)propanoic acid

N-(2-Pyrazinylcarbonyl)-D-phenylalanine is a phenylalanine derivative[1].

  • CAS Number: 1608986-16-8
  • MF: C14H13N3O3
  • MW: 271.271
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 573.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 300.8±30.1 °C

Goniodiol 8-acetate

Goniodiol 8-acetate is a styrylpyrones that can be isolated from the leaves of Goniothalamus amuyon. Goniodiol 8-acetate has cytotoxic activity[1].

  • CAS Number: 144429-71-0
  • MF: C15H16O5
  • MW: 276.284
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 412.4±15.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 151.5±13.9 °C

CL2 Linker

CL2 Linker is an ADC linker. CL2-SN-38 and CL2A-SN-38 are equivalent in drug substitution (~6), cell binding (Kd ~1.2 nM), cytotoxicity (IC50 ~2.2 nM), and serum stability in vitro (t1/2 ~20 hours)[1][2].

  • CAS Number: 2270986-66-6
  • MF: C68H103N11O22
  • MW: 1426.61
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bidenoside C

Bidenoside C (compound 10) is a polyacetylene glycoside (Polyacetylene Glycoside), which can be isolated from the flowers of Coreopsis lanceolata (Asteraceae)[1].

  • CAS Number: 700877-55-0
  • MF: C16H22O6
  • MW: 310.35
  • Catalog: Others
  • Density: 1.30±0.1 g/cm3(Predicted)
  • Boiling Point: 546.3±50.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

FABP-IN-2

FABP-IN-2 is a novel FABP3 ligand. FABP-IN-2 inhibits FABP3/FABP4 with an IC50 of 1.16 μM and 4.27 μM respectively[1].

  • CAS Number: 1426533-99-4
  • MF: C25H21ClN2O3
  • MW: 432.90
  • Catalog: FABP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IOX2 sodium

IOX2 sodium is a specific prolyl hydroxylase-2 (PHD2) inhibitor with IC50 of 22 nM. IOX2 sodium regulates platelet function and arterial thrombosis by upregulating HIF-1α expression and inhibiting ROS production. IOX2 sodium can be used in the study of thrombotic diseases[1][2].

  • CAS Number: 2377239-85-3
  • MF: C19H15N2NaO5
  • MW: 374.32
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cyproheptadine

Cyproheptadine is a potent and orally active 5-HT2A receptor antagonist, with antidepressant and antiserotonergic effects. Cyproheptadine has antiplatelet and thromboprotective activities. Cyproheptadine can be used for the research of thromboembolic disorders[1][2].

  • CAS Number: 129-03-3
  • MF: C21H22ClN
  • MW: 323.85900
  • Catalog: Apoptosis
  • Density: 1.115g/cm3
  • Boiling Point: 440.1ºC at 760mmHg
  • Melting Point: 298 °C (dec.)(lit.)
  • Flash Point: 194.5ºC

Drinidene

Drinidene can be used for the research of pain disorders extracted from patent AU2018254530A1[1].

  • CAS Number: 53394-92-6
  • MF: C10H9NO
  • MW: 159.18500
  • Catalog: Neurological Disease
  • Density: 1.333g/cm3
  • Boiling Point: 306.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 138.9ºC

Dasatinib D8

Dasatinib D8 is a deuterium labeled Dasatinib. Dasatinib is a dual Bcr-Abl and Src family tyrosine kinase inhibitor.

  • CAS Number: 1132093-70-9
  • MF: C22H18D8ClN7O2S
  • MW: 496.05500
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BIS(2-CYANOETHYL) DIISOPROPYLPHOSPHORAMIDITE

Bis(2-cyanoethyl) diisopropylphosphoramidite is a phosphorite monomer that can be used in the synthesis of oligonucleotides[1].

  • CAS Number: 102690-88-0
  • MF: C12H22N3O2P
  • MW: 271.30
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 335.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 156.6ºC

BCR-ABL-IN-7

BCR-ABL-IN-7 (compound 4) is a WT and T315I mutant ABL kinases inhibitor. BCR-ABL-IN-7 effectively inhibits activities of WT and T315I mutant ABL kinases. BCR-ABL-IN-7 can be used for the research of chronic myeloid leukemia (CML) research[1].

  • CAS Number: 688050-42-2
  • MF: C19H16FN3O3S
  • MW: 385.41
  • Catalog: Bcr-Abl
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,2-Distearoyl-sn-glycero-3-phosphorylcholine-d4

1,2-Distearoyl-sn-glycero-3-phosphorylcholine-d4 is deuterium labeled 1,2-Distearoyl-sn-glycero-3-phosphorylcholine. 1,2-Distearoyl-sn-glycero-3-phosphorylcholine (1,2-Distearoyl-sn-glycero-3-PC; DSPC) is a cylindrical-shaped lipid. 1,2-Distearoyl-sn-glyc

  • CAS Number: 326495-35-6
  • MF: C44H84D4NO8P
  • MW: 794.17
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dim16

Dim16 is a dual PCSK9/HMG-CoAR inhibitor, with an IC50 value of 19 nM for PCSK9. Dim16 inhibits PCSK9-LDLR binding with an IC50 value of 0.8 nM. Dim16 increases LDL uptake in HepG2 cells[1].

  • CAS Number: 2743448-32-8
  • MF: C29H38IN5
  • MW: 583.55
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ropivacaine-d7

Ropivacaine-d7 is deuterium labeled Ropivacaine. Ropivacain is a potent sodium channel blocker. Ropivacain blocks impulse conduction via reversible inhibition of sodium ion influx in nerve fibrese[1][2]. Ropivacaine is also an inhibitor of K2P (two-pore domain potassium channel) TREK-1 with an IC50 of 402.7 μM in COS-7 cell's membrane[3]. Ropivacaine is used for the research of neuropathic pain management[1].

  • CAS Number: 684647-62-9
  • MF: C17H19D7N2O
  • MW: 281.44
  • Catalog: Potassium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Cyano-7-deaza-2'-deoxy guanosine

7-Cyano-7-deaza-2'-deoxy guanosine is a guanosine analog. Some guanosine analogs have immunostimulatory activity. In some animal models, they also induce type I interferons, producing antiviral effects. Studies have shown that the functional activity of guanosine analogs is dependent on the activation of Toll-like receptor 7 (TLR7)[1].

  • CAS Number: 199859-58-0
  • MF: C12H13N5O4
  • MW: 291.263
  • Catalog: Others
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A