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

Methyl 7-formylcyclopenta[c]pyran-4-carboxylate

Cerbinal is a natural compound isolated from Gardenia jasminoides Ellis. Cerbinal has antifungal activity[1].

  • CAS Number: 65597-42-4
  • MF: C11H8O4
  • MW: 204.179
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 433.4±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 198.8±27.4 °C

LDN-192960 hydrochloride

LDN-192960 hydrochloride is an inhibitor of Haspin and Dual-specificity Tyrosine-regulated Kinase 2 (DYRK2) with IC50s of 10 nM and 48 nM, respectively[1].

  • CAS Number: 2309172-48-1
  • MF: C18H22Cl2N2O2S
  • MW: 401.35
  • Catalog: Haspin Kinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-D-phe(4-NO2)-OH

Fmoc-D-Phe(4-NO2)-OH is a phenylalanine derivative[1].

  • CAS Number: 177966-63-1
  • MF: C24H20N2O6
  • MW: 432.425
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 692.3±55.0 °C at 760 mmHg
  • Melting Point: 215-225ºC
  • Flash Point: 372.5±31.5 °C

Anticancer agent 56

Anticancer agent 56 (compound 4d) is a potent anti-cancer agent with drug-likeness properties, possessing anticancer activity against several cancer cell lines (IC50<3 μM). Anticancer agent 56 induces cell cycle arrest at G2/M phase and triggers mitochondrial apoptosis pathway. Anticancer agent 56 acts by accumulation of ROS, up regulation of BAX, down regulation of Bcl-2 and activation of caspases 3, 7, 9[1].

  • CAS Number: 2241915-59-1
  • MF: C20H18ClN3O3
  • MW: 383.83
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Thalidomide-NH-PEG2-C2-NH-Boc

Thalidomide-NH-PEG2-C2-NH-Boc is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a PEG linker used for dBRD9 (compound 6) synthesis. dBRD9 is a selective BRD9 probe PROTAC degrader for the study of BAF complex biology[1].

  • CAS Number: 2097509-40-3
  • MF: C24H32N4O8
  • MW: 504.53
  • Catalog: E3 Ligase Ligand-Linker Conjugate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3,4-Difluorophenylalanine

3,4-Difluorophenylalanine is a fluorinated peptide with gelation ability[1][2].

  • CAS Number: 32133-36-1
  • MF: C9H9F2NO2
  • MW: 201.170
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 311.9±42.0 °C at 760 mmHg
  • Melting Point: 237 °C
  • Flash Point: 142.5±27.9 °C

Docosanedioic acid

Docosanedioic acid is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). Docosanedioic acid is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1][2].

  • CAS Number: 505-56-6
  • MF: C22H42O4
  • MW: 370.566
  • Catalog: ADC Linker
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 527.0±23.0 °C at 760 mmHg
  • Melting Point: 72-80 °C(lit.)
  • Flash Point: 286.6±19.1 °C

(Des-Gly10,D-His(Bzl)6,Pro-NHEt9)-LHRH acetate salt

Histrelin acetate, a GnRH analogue, is a GnRH Receptor agonist. Histrelin acetate increases serum luteinising hormone (LH), follicle stimulating hormone (FSH) and testosterone levels. Histrelin acetate can be used in the research of prostate cancer, endometriosis[1][2][5].

  • CAS Number: 220810-26-4
  • MF: C66H86N18O12.xC2H4O2
  • MW: 1323.50 (free base)
  • Catalog: GNRH Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Myristoyl-(Lys12,27,28)-VIP-Gly-Gly-Thr free acid

Myristoyl-(Lys12,27,28)-VIP-Gly-Gly-Thr (free acid) is a high-affinity and selective VPAC2 receptor antagonist[1].

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

KRA-533

KRA-533 is a potent KRAS agonist. KRA-533 binds to the GTP/GDP binding pocket in the KRAS protein to prevent GTP cleavage, resulting in the accumulation of constitutively active GTP-bound KRAS that triggers both apoptotic and autophagic cell death pathways in cancer cells.

  • CAS Number: 10161-87-2
  • MF: C13H16BrNO3
  • MW: 314.17500
  • Catalog: Ras
  • Density: 1.428g/cm3
  • Boiling Point: 530.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 274.6ºC

Carasiphenol C

Carasiphenol C is a stilbenoid. Carasiphenol C can be isolated from Caragana sinica. Caragana sinica is widely used as a folk medicine[1].

  • CAS Number: 868168-04-1
  • MF: C42H32O9
  • MW: 680.70
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methylthiomcresol-C1-benzoic acid

Methylthiomcresol-C1-benzoic acid is a fenthion hapten that can be used for immunoreagent production (protein conjugates and polyclonal antibodies)[1].

  • CAS Number: 848486-56-6
  • MF: C16H16O3S
  • MW: 288.36
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

K11

K11 is an antimicrobial peptide. K11 is active against MDR/XDR K. pneumoniae isolates (MIC: 8-512 μg/mL), and inhibits bacterial biofilm formation. K11 can act synergistically with antibiotics (Chloramphenicol (HY-B0239), Meropenem (HY-13678), Rifampicin (HY-B0272), etc.) against drug-resistant K. pneumoniae. K11 has high thermal and wide pH stability[1].

  • CAS Number: 1398109-79-9
  • MF: C123H198N32O23
  • MW: 2493.09
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

B-Raf IN 7

B-Raf IN 7 (compound 6a) is a potent B-Raf inhibitor, with an IC50 of 110.23 nM. B-Raf IN 7 exhibits antitumor activity against colon carcinoma (HCT-116), mammary gland (MCF-7), hepatocellular carcinoma (HEPG-2), human cervical carcinoma (Hela) and human prostate cancer (PC-3) cells, with IC50 values of 7.50, 9.87, 10.57, 11.63 and 12.83 µM[1].

  • CAS Number: 2477725-07-6
  • MF: C15H16N6O3
  • MW: 328.33
  • Catalog: Raf
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

14-deoxycoleon

14-Deoxycoleon U is a natural abietane-type diterpene. 14-Deoxycoleon U exerts an inhibitory effect on tumor cells proliferation. 14-Deoxycoleon U may be a potent anti-cancerous lead compound for lung cancer research[1].

  • CAS Number: 88664-09-9
  • MF: C20H26O4
  • MW: 330.42
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 544.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 297.1±26.6 °C

Aeruginosin 865

Aeruginosin 865, isolated from terrestrial cyanobacterium Nostoc sp. Lukešová 30/93, is the first aeruginosin-type peptide containing both a fatty acid and a carbohydrate moiety. Aeruginosin 865 inhibits translocation of NF-kB to the nucleus. Aeruginosin 865 has anti-inflammatory effect[1]

  • CAS Number: 1611990-01-2
  • MF: C41H64N6O14
  • MW: 864.98
  • Catalog: ADC Cytotoxin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Hydroxyphenylacetic acid

4-hydroxyphenylacetic acid, a major microbiota-derived metabolite of polyphenols, is involved in the antioxidative action. 4-hydroxyphenylacetic acid induces expression of Nrf2[1].

  • CAS Number: 156-38-7
  • MF: C8H8O3
  • MW: 152.147
  • Catalog: Keap1-Nrf2
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 346.6±17.0 °C at 760 mmHg
  • Melting Point: 148-151 °C(lit.)
  • Flash Point: 177.6±17.4 °C

Sprengerinin C

Sprengerinin is a potential angiogenesis inhibitor. Sprengerinin exerts anti-tumorigenic effects in vitro[1].

  • CAS Number: 88861-91-0
  • MF: C44H70O16
  • MW: 855.02
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 262-265℃ (methanol )
  • Flash Point: N/A

Solasurine

Solasurine is a steroidal alkaloid that can be isolated from Solanum surrattence. Solasurine can interact with the C3-like protease (SARS-CoV-2 main protease) amino acids Phe8, Pro9, Ile152, Tyr154, Pro293, Phe294, Val297, and Arg298[1].

  • CAS Number: 27028-76-8
  • MF: C39H63NO11
  • MW: 721.918
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 851.9±65.0 °C at 760 mmHg
  • Melting Point: 228-230℃
  • Flash Point: 469.0±34.3 °C

VIT-2763

VIT-2763, an oral ferroportin inhibitor, inhibits hepcidin binding to ferroportin and blocks iron efflux. VIT-2763 has the potential in the treatment of β-thalassemia[1].

  • CAS Number: 2095668-10-1
  • MF: C21H21FN6O2
  • MW: 408.43
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Physalaemin

Physalaemin, a non-mammalian tachykinin, binds selectively to neurokinin-1 (NK1) receptor with high affinity.

  • CAS Number: 2507-24-6
  • MF: C58H84N14O16S
  • MW: 1265.44000
  • Catalog: Peptides
  • Density: 1.331g/cm3
  • Boiling Point: 1743.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 1008.1ºC

Betifisolimab

Betifisolimab (MSB-2311) is a humanized monoclonal antibody directed against the immunosuppressive ligand PD-L1. Betifisolimab has the potential for advanced solid tumors and hematological malignancies research[1].

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

GSK2973980A

GSK2973980A is a potent and selective Acyl-CoA:diacylglycerol acyltransferase 1 (DGAT1) inhibitor with an IC50 of 3 nM.

  • CAS Number: 2219321-25-0
  • MF: C25H19F5N4O4
  • MW: 534.43
  • Catalog: Acyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-hydroxy-2-(1'-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione

STAT3-IN-14 (Compound 1) is a STAT3 inhibitor and has STAT3 phosphorylation inhibitory activity. STAT3-IN-14 (Compound 1) can directly bind to the hinge region of STAT3[1].

  • CAS Number: 123297-90-5
  • MF: C14H10O5
  • MW: 258.22600
  • Catalog: STAT
  • Density: 1.506g/cm3
  • Boiling Point: 465ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 235ºC

Cinerubin B

Cinerubin B, a glycosylated anthracycline antibiotic, is an anticancer agent from Streptomyces sp. SPB74[1].

  • CAS Number: 35906-51-5
  • MF: C42H51NO16
  • MW: 825.85100
  • Catalog: Bacterial
  • Density: 1.48g/cm3
  • Boiling Point: 897ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 496.3ºC

Ketorolac D4

Ketorolac D4 (RS37619 D4) is the deuterium labeled Ketorolac. Ketorolac is a non-steroidal anti-inflammatory agent, acting as a nonselective COX inhibitor, with IC50s of 20 nM for COX-1 and 120 nM for COX-2[1][2].

  • CAS Number: 1216451-53-4
  • MF: C15H9D4NO3
  • MW: 259.29300
  • Catalog: COX
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Remetinostat

Remetinostat (SHP-141) is a hydroxamic acid-based inhibitor of histone deacetylase enzymes (HDAC) which is under development for the treatment of cutaneous T-cell lymphoma[1].

  • CAS Number: 946150-57-8
  • MF: C16H21NO6
  • MW: 323.34100
  • Catalog: HDAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tigatuzumab

Tigatuzumab (CS-1008) is a humanized IgG1 monoclonal antibody targets death receptor 5 (DR5). Tigatuzumab induces cell Apoptosis of cancer cells and inhibits tumor growth in vivo. Tigatuzumab can be used for the research of cancer[1].

  • CAS Number: 918127-53-4
  • MF:
  • MW: 144.6 (kDa)
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Zoniporide hydrochloride

Zoniporide (CP-597396) hydrochloride is a potent and selective inhibitor of sodium-hydrogen exchanger type 1 (NHE-1). Zoniporide hydrochloride inhibits human NHE-1 (IC50=14 nM), and has >150-fold selectivity versus other NHE isoforms. Zoniporide hydrochloride potently inhibits ex vivo NHE-1-dependent swelling of human platelets (IC50=59 nM)[1][2].

  • CAS Number: 241800-97-5
  • MF: C17H18Cl2N6O
  • MW: 393.270
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KTX-582 intermediate-3

KTX-582 intermediate-3 is an intermediate in the synthesis of KTX-582 (HY-148274) and can be used for ADC preparation. KTX-582 is an IRAK4 degrader and inducer of apoptosis with DC50 of 4 nM and 5 nM for IRAK4 and Ikaros, respectively[1].

  • CAS Number: 2573304-30-8
  • MF: C26H29F3N4O4
  • MW: 518.53
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A