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

EC089

EC089 is a linker used in conjugates of tubulysins and folates, and extracted from patent WO2011069116A1[1].

  • CAS Number: 625827-91-0
  • MF: C36H46N14O14S
  • MW: 930.90
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Momordin Ic

Momordin Ic is a principal saponin constituent of Fructus Kochiae, with with anti-cancer bioactivity. Momordin Ic induces apoptosis through oxidative stress-regulated mitochondrial dysfunction[1][2].

  • CAS Number: 96990-18-0
  • MF: C41H64O13
  • MW: 764.939
  • Catalog: Apoptosis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 886.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 263.1±27.8 °C

Sodium Channel inhibitor 1

Sodium Channel inhibitor1, one of 3-Oxoisoindoline-1-carboxamides, is a novel and selective voltage-gated sodium channel for pain treatment. IC50 Value: 0.16 uM ( Na v1.7, V hold-90mV); 0.41 uM (Na v1.7, V hold-90mV) [1]Target: Na v1.7Sodium Channel inhibitor1 demonstrated concentration-dependent efficacy in preclinical behavioral pain models.

  • CAS Number: 1198117-23-5
  • MF: C24H19F4N3O3
  • MW: 473.42000
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FA-Phe-Phe-OH

FA-Phe-Phe is a furylacryloyl (fa)-amino acid derivative, targeting to Angiotensin-converting Enzyme (ACE). FA-Phe-Phe is also a specific substrate of Cathepsin A[1][2].

  • CAS Number: 83661-95-4
  • MF: C25H24N2O5
  • MW: 432.47
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DPP-4 inhibitor 1

DPP-4 inhibitor 1 (compound 5) is a potent and long acting Dipeptidyl peptidase-4 (DPP-4) inhibitor for t treatment of T2DM, with a KD of 0.177 nM[1].

  • CAS Number: 1915007-89-4
  • MF: C21H15F3N2O2
  • MW: 384.35
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

fluensulfone

Fluensulfone is a new nematicide for chemical control of plant parasitic nematodes.

  • CAS Number: 318290-98-1
  • MF: C7H5ClF3NO2S2
  • MW: 291.698
  • Catalog: Parasite
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 375.5±52.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 180.9±30.7 °C

Fipsomin

Fipsomin is a natural product that can be isolated from the fruits of F. nipponica[1].

  • CAS Number: 2143936-83-6
  • MF: C14H14O4
  • MW: 246.26
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CHM1

CHM-1, a microtubule-destabilizing agent, inhibits tubulin polymerization. CHM-1 is a potent and selective antimitotic antitumor activity against human hepatocellular carcinoma. CHM-1 induces growth inhibition and apoptosis via G2-M phase arrest in human hepatocellular carcinoma cells by activation of Cdc2 kinase activity[1][2][3].

  • CAS Number: 154554-41-3
  • MF: C16H10FNO3
  • MW: 283.25400
  • Catalog: Microtubule/Tubulin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Peptide C105Y

Peptide C105Y, a synthetic and cell-penetrating peptide based on the amino acid sequence corresponding to residues 359-374 of α1-antitrypsin, enhances gene expression from DNA nanoparticles[1].

  • CAS Number: 247572-63-0
  • MF: C97H148N20O23S
  • MW: 1994.40
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(r)-(-)-n-benzyl-2-phenylglycinol

(R)-(−)-N-Benzyl-2-phenylglycinol is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 14231-57-3
  • MF: C15H17NO
  • MW: 227.30200
  • Catalog: Others
  • Density: 1.1g/cm3
  • Boiling Point: 386.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 136.9ºC

Withasomniferolide B

Withasomniferolide B is a withanolide. Withasomniferolide B can be isolated from a GABAA receptor positive activator methanol extract of the roots of Withania somnifera[1].

  • CAS Number: 2365386-75-8
  • MF: C28H36O4
  • MW: 436.58
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-METHYLISATIN-3-THIOSEMICARBAZONE

Methisazone (Marboran) is an antiviral agent that works by inhibiting mRNA and protein synthesis. Methisazone is also a SARS-CoV-2 (COVID-19) inhibitor. Methisazone is mainly used in pox viruses[1].

  • CAS Number: 1910-68-5
  • MF: C10H10N4OS
  • MW: 234.28
  • Catalog: SARS-CoV
  • Density: 1.47 g/cm3
  • Boiling Point: 410.3ºC at 760 mmHg
  • Melting Point: 245°
  • Flash Point: 202ºC

Elinogrel

Elinogrel (PRT060128) is a potent, direct acting, competitive, and reversible platelet P2Y12 antagonist (IC50=20 nM). It is orally and intravenously available and has potent antiplatelet effects[1].

  • CAS Number: 936500-94-6
  • MF: C20H15ClFN5O5S2
  • MW: 523.945
  • Catalog: P2Y Receptor
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MAX-40279 hemiadipate

MAX-40279 hemiadipate is a dual and potent inhibitor of FLT3 kinase and FGFR kinase. MAX-40279 hemiadipate has the potential for the research of acute myelogenous leukemia (AML) (extracted from patent WO2021180032)[1].

  • CAS Number: 2388506-44-1
  • MF: C28H33FN6O5S
  • MW: 584.66
  • Catalog: FGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Erlotinib-13C6 hydrochloride

Erlotinib-13C6 (hydrochloride) is the 13C labeled Erlotinib Hydrochloride[1]. Erlotinib Hydrochloride (CP-358774 Hydrochloride) inhibits purified EGFR kinase with an IC50 of 2 nM[2].

  • CAS Number: 1210610-07-3
  • MF: C22H24ClN3O4
  • MW: 435.85300
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cephalothin

Cephalotin (Cephalotin) is a beta-lactam antibiotic, inhibits class C β-lactamase AmpC, with an Ki of 0.32 µM[1].

  • CAS Number: 153-61-7
  • MF: C16H16N2O6S2
  • MW: 396.438
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 757.2±60.0 °C at 760 mmHg
  • Melting Point: 160-161ºC
  • Flash Point: 411.8±32.9 °C

(D-Trp8,D-Cys14)-Somatostatin-14

(D-Trp8,D-Cys14)-Somatostatin-14 is a Somatostatin synthetic analogue. (D-Trp8,D-Cys14)-Somatostatin-14 can be used for the research of metabolic related diseases[1][2].

  • CAS Number: 61950-59-2
  • MF: C76H104N18O19S2
  • MW: 1536.774
  • Catalog: Metabolic Disease
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SR-18292

SR-18292 is a PPAR gamma coactivator-1α (PGC-1α) inhibitor, which increases PGC-1α acetylation, suppresses gluconeogenic gene expression and reduces glucose production in hepatocytes.

  • CAS Number: 2095432-55-4
  • MF: C23H30N2O2
  • MW: 366.5
  • Catalog: PGC-1α
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

iofendylate

Iophendylate (Pantopaque) is a highly lipophilic substance, and can be used as a contrast medium. Iophendylate is mainly for brain and spinal cord visualization[1][2].

  • CAS Number: 99-79-6
  • MF: C19H29IO2
  • MW: 416.33700
  • Catalog: Others
  • Density: 1.261g/cm3
  • Boiling Point: 421.2ºC at 760mmHg
  • Melting Point: 25°C
  • Flash Point: 208.5ºC

Deoxycytidine triphosphate-d14 dilithium

Deoxycytidine triphosphate-d14 (dCTP-d14 dilithium; 2′-Deoxycytidine-5′-triphosphate-d14) dilithium is deuterium labeled Deoxycytidine triphosphate (HY-101400). Deoxycytidine triphosphate (dCTP) is a nucleoside triphosphate that can be used for DNA synthesis. Deoxycytidine triphosphate has many applications, such as real-time PCR, cDNA synthesis, and DNA sequencing.

  • CAS Number: 2687960-70-7
  • MF: C9D14Li2N3O13P3
  • MW: 493.11
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Nitroso-N-(methyl-d3)-4-aminobutyric Acid

N-Nitroso-N-methyl-4-aminobutyric acid-d3 is the deuterium labeled N-Nitroso-N-methyl-4-aminobutyric acid[1].

  • CAS Number: 1184996-41-5
  • MF: C5H7D3N2O3
  • MW: 149.16
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Valtropine

Valtropine is an alkaloid. Valtropine can be isolated from the leaves of Duboisia myoporoides[1].

  • CAS Number: 495-82-9
  • MF: C13H23NO2
  • MW: 225.32700
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GNE-0877

GNE0877 is a highly potent, selective, and brain-penetrant aminopyrazole leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitor with an IC50 of 3 nM.IC50 value: 3 nM [1]Target: LRRK2Invitrogen kinase-selectivity profiling(188 kinases) of aminopyrazole GNE0877 at 0.1 μM (145-fold overLRRK2 Ki) resulted in only four kinases showing greater than 50% inhibition (Aurora B = 51%, RSK2 = 52%, RSK4 = 62%, and RSK3 = 68%) and suggested that GNE0877 is a highly selective LRRK2 inhibitor. Furthermore, GNE0877 possessed a 212-fold biochemical-selectivity index over TTK (Ki= 150 nM), which was previously highlighted as an off-target kinase of concern because of the suggested role of TTK in themaintenance of chromosomal stability. The in vivo rat clearance for inhibitor GNE0877 was within 2-fold of measured in vitro stability, and good oral bioavailability (88%) was achieved at 50 mg/kg following administration of a methylcellulose/tween (MCT) suspension.

  • CAS Number: 1374828-69-9
  • MF: C14H16F3N7
  • MW: 339.319
  • Catalog: LRRK2
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 506.3±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 260.0±32.9 °C

Dostarlimab

Dostarlimab (TSR-042) is a humanized anti-PD-1 monoclonal antibody. Dostarlimab binds with high affinity to human PD-1 and competitively inhibits its interaction with its ligands, PD-L1 and PD-L2, with IC50s of 1.8 and 1.5 nM, respectively[1].

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

Cyclopentenyl uracil

Cyclopentenyl uracil, a non-cytotoxic inhibitor of uridine kinase, effectively blocks the salvage of circulating uridine by host and tumor tissues in the intact mouse[1].

  • CAS Number: 90597-20-9
  • MF: C10H12N2O5
  • MW: 240.21300
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

UMI-77

UMI-77 is a selective Mcl-1 inhibitor, which shows high binding affinity to Mcl-1 (IC50=0.31 μM). UMI-77 binds to the BH3 binding groove of Mcl-1 with Ki of 490 nM, showing selectivity over other members of anti-apoptotic Bcl-2 members.

  • CAS Number: 518303-20-3
  • MF: C18H14BrNO5S2
  • MW: 468.341
  • Catalog: Bcl-2 Family
  • Density: 1.79±0.1 g/cm3
  • Boiling Point: 661.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 353.7±34.3 °C

Irinotecan

Irinotecan is a water soluble topoisomerase I inhibitor, preventing religation of the DNA strand by binding to topoisomerase I-DNA complex.

  • CAS Number: 97682-44-5
  • MF: C33H38N4O6
  • MW: 586.678
  • Catalog: Autophagy
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 873.4±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 482.0±34.3 °C

Nosiheptide

Nosiheptide (Multhiomycin), a thiopeptide antibiotic produced by Streptomyces actuosus, inhibits bacterial protein synthesis and bears a unique indole side ring system and regiospecific hydroxyl groups on the characteristic macrocyclic core. Nosiheptide has been widely used as a feed additive for animal growth[1][2].

  • CAS Number: 56377-79-8
  • MF: C51H43N13O12S6
  • MW: 1222.357
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 310-320° (dec)
  • Flash Point: N/A

Plevitrexed

Plevitrexed (ZD 9331; BGC 9331) is an orally active and potent thymidylate synthase (TS) inhibitor with a Ki of 0.44 nM. Plevitrexed is taken up via the α-folate receptor as well as the reduced folate carrier. Plevitrexed is used for gastric cancer in clinical[1][2][3].

  • CAS Number: 153537-73-6
  • MF: C26H25FN8O4
  • MW: 532.52600
  • Catalog: Thymidylate Synthase
  • Density: 1.44g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Decursinol angelate

Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].

  • CAS Number: 130848-06-5
  • MF: C19H20O5
  • MW: 328.359
  • Catalog: PKC
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 469.4±45.0 °C at 760 mmHg
  • Melting Point: 93-94 ºC
  • Flash Point: 206.6±28.8 °C