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

3,4-Dichloro-isocoumarin

3,4-Dichloroisocoumarin is a potent serine-protease inhibitor that inhibits chymotrypsin-like activity[1].

  • CAS Number: 51050-59-0
  • MF: C9H4Cl2O2
  • MW: 215.03300
  • Catalog: Ser/Thr Protease
  • Density: 1.53 g/cm3
  • Boiling Point: 304.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 136.6ºC

D-phenylalanine

D-Phenylalanine is the synthetic dextro isomer of phenylalanine. D-Phenylalanine inhibits biofilm development of Pseudoalteromonas sp. SC2014[1].

  • CAS Number: 673-06-3
  • MF: C9H11NO2
  • MW: 165.189
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 307.5±30.0 °C at 760 mmHg
  • Melting Point: 273-276 °C(lit.)
  • Flash Point: 139.8±24.6 °C

Taxezopidine G

Taxezopidine G is a natural product, that can be isolated from the seeds and stems of Japanese Yew Taxus cuspidata[1].

  • CAS Number: 205440-22-8
  • MF: C35H44O9
  • MW: 608.72
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LpxH-IN-AZ1

LpxH-IN-AZ1, a sulfonyl piperazine compound, is a potent UDP-2,3-diacylglucosamine pyrophosphate hydrolase LpxH inhibitor. LpxH-IN-AZ1 is a potent inhibitor of Klebsiella pneumoniae LpxH with IC50 of 0.36 μM [1].

  • CAS Number: 901260-40-0
  • MF: C21H22F3N3O3S
  • MW: 453.48
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ML-SA5

ML-SA5 is a potent TRPML1 cation channel agonist that activates the entire endosomal TRPML1 (ML1) current in DMD myocytes with an EC50 of 285 nM and is more potent than ML-SA1. ML-SA5 has anticancer activity and can tumour growth[1].

  • CAS Number: 2418670-70-7
  • MF: C19H24ClN3O4S2
  • MW: 457.995
  • Catalog: TRP Channel
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 600.4±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 316.9±34.3 °C

Cholesterol-d4

Cholesterol-d4 is deuterium labeled Cholesterol. Cholesterol is the major sterol in mammals and is makes up 20-25% of structural component of the plasma membrane. Plasma membranes are highly permeable to water but relatively impermeable to ions and protons. Cholesterol plays an important role in determining the fluidity and permeability characteristics of the membrane as well as the function of both the transporters and signaling proteins[1][2]. Cholesterol is also an endogenous estrogen-related receptor α (ERRα) agonist[3].

  • CAS Number: 956029-28-0
  • MF: C27H42D4O
  • MW: 390.68
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ethylhydrocupreine

Ethylhydrocupreine (Optochin) is a quinine derivate with antimicrobial activity against S. pneumoniae. Ethylhydrocupreine also possesses antimalarial activity against Plasmodium falciparum, with an IC50 of 25.75 nM. Ethylhydrocupreine is a Gallus gallus taste 2 receptors (ggTas2r1, ggTas2r2 and ggTas2r7) agonist[1][2][3][4].

  • CAS Number: 522-60-1
  • MF: C21H28N2O2
  • MW: 340.45900
  • Catalog: Bacterial
  • Density: 1.18g/cm3
  • Boiling Point: 508.7ºC at 760mmHg
  • Melting Point: 123-128° when solvent-free
  • Flash Point: 261.5ºC

3beta-Hydroxylanosta-8,24-diene-21-al

3β-Hydroxylanosta-8,24-dien-21-al is a lanostane-type triterpene. 3β-Hydroxylanosta-8,24-dien-21-al can inhibit the tumor promotion, reducing the percentage of mice bearing papillomas[1].

  • CAS Number: 96574-03-7
  • MF: C30H48O2
  • MW: 440.70
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: 529.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A

Vibecotamab

Vibecotamab (XmAb14045) is a potent bispecific antibody against CD123 and CD3 that stimulates T cell-mediated targeted killing of CD123-expressing cells. Vibecotamab has antitumor activity and can be used in acute myeloid leukaemia studies[1].

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

EGFR-IN-67

EGFR-IN-67 (Compound 7d) is a potent EGFR inhibitor with an IC50 of 0.34 μM. EGFR-IN-67 shows anticancer activity[1].

  • CAS Number: 2416924-99-5
  • MF: C18H17N3S
  • MW: 307.41
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PKI-166

PKI-166 is a potent, selective and orally bioavailable EGFR tyrosine kinase inhibitor, with an IC50 of 0.7 nM[1].

  • CAS Number: 187724-61-4
  • MF: C20H18N4O
  • MW: 330.38300
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

meso-2,3-Dibromosuccinic acid

2,3-Dibromosuccinic acid is the inactive isomer of (±)-2,3-Dibromosuccinic acid (HY-133681), and can be used as an experimental control. (±)-2,3-Dibromosuccinic acid is the key intermediate in the synthesis of dicarboxylic acid derivatives[1].

  • CAS Number: 526-78-3
  • MF: C4H4Br2O4
  • MW: 275.88
  • Catalog: Others
  • Density: 2.5±0.1 g/cm3
  • Boiling Point: 262.4±40.0 °C at 760 mmHg
  • Melting Point: 255-260ºC
  • Flash Point: 112.5±27.3 °C

DHFR-IN-2

DHFR-IN-2 (compound 4e) is a potent and uncompetitive inhibitor for MtDHFR (dihydrofolate reductase from M. tuberculosis), with an IC50 of 7 μM. DHFR-IN-2 can be used for tuberculosis (TB) research[1].

  • CAS Number: 331942-46-2
  • MF: C14H13NO2
  • MW: 227.26
  • Catalog: Antifolate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GDC-6599

GDC-6599 (Example 8) is an orally active TRPA1 inhibitor. GDC-6599 can be used to study TRPA1-mediated diseases such as pain[1].

  • CAS Number: 2376824-99-4
  • MF: C20H19ClN6O3
  • MW: 426.86
  • Catalog: TRP Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

sarcosine-methyl-d3

Sarcosine-d3 (N-Methylglycine-d3) is the deuterium labeled Sarcosine. Sarcosine (N-Methylglycine), an endogenous amino acid, is a competitive glycine transporter type I (GlyT1) inhibitor and N-methyl-D-aspartate (NMDA) receptor co-agonist. Sarcosine increases the glycine concentration, resulting in an indirect potentiation of the NMDA receptor. Sarcosine is commonly used for the research of schizophrenia[1][2].

  • CAS Number: 118685-91-9
  • MF: C3H4D3NO2
  • MW: 92.11170
  • Catalog: GlyT
  • Density: 1.13g/cm3
  • Boiling Point: 195.1ºC at 760 mmHg
  • Melting Point: 208ºC (dec.)(lit.)
  • Flash Point: 71.8ºC

Flemiphilippinin A

Flemiphilippinin A is a prenylated isoflavone isolated from Flemingia philippinensis[1].

  • CAS Number: 140366-64-9
  • MF: C30H32O6
  • MW: 488.572
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 686.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 224.9±25.0 °C

Antibacterial agent 61

Antibacterial agent 61 (example 27) is a antibacterial agent (extracted from patent WO2013030735A1)[1].

  • CAS Number: 1426572-69-1
  • MF: C9H10N5NaO7S
  • MW: 355.26
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vemurafenib (PLX4032)

Vemurafenib is a novel and potent inhibitor of B-RAF kinase, with IC50s of 31 and 48 nM for RAFV600E and c-RAF-1, respectively.

  • CAS Number: 918504-65-1
  • MF: C23H18ClF2N3O3S
  • MW: 489.922
  • Catalog: Autophagy
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 711.4±70.0 °C at 760 mmHg
  • Melting Point: 260-262 °C
  • Flash Point: 384.0±35.7 °C

N,N'-Dinitrosopiperazine-d8

N,N'-Dinitrosopiperazine-d8 is the deuterium labeled N,N'-Dinitrosopiperazine[1]. N,N'-Dinitrosopiperazine (1,4-Dinitrosopiperazine;DNP) is a carcinogen with specificity for nasopharyngeal epithelium and facilitates NPC metastasis. N,N'-Dinitrosopiperazine regulates multiple signaling pathways through protein phosphorylation, including LYRIC at serine 568[2].

  • CAS Number: 69340-07-4
  • MF: C4D8N4O2
  • MW: 152.181214224
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 175-178°C
  • Flash Point: N/A

Antitumor agent-F10

Antitumor agent-F10 (Compound F10) is a camptothecin derivative. Antitumor agent-F10 is an orally–bioavailable and potent antitumor agent. Antitumor agent-F10 displays lower acute toxicity than SN-38 does and the solubility of F10 reached 9.86 μg/mL[1].

  • CAS Number: 2371727-65-8
  • MF: C29H31N3O6
  • MW: 517.57
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CAY10404

CAY10404 is a potent and highly selective cyclooxygenase-2 (COX-2) inhibitor with an IC50 of 1 nM. CAY10404 exhibits no inhibition of COX-1 (IC50>500 µM)[1]. CAY10404 is a potent inhibitor of PKB/Akt and MAPK signaling pathways and induces apoptosis in NSCLC cells. CAY10404, a diarylisoxazole, has good analgesic, anti-inflammatory, and anti-cancer activities[2][3].

  • CAS Number: 340267-36-9
  • MF: C17H12F3NO3S
  • MW: 367.342
  • Catalog: Apoptosis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 498.6±45.0 °C at 760 mmHg
  • Melting Point: 196.47 °C(Predicted)
  • Flash Point: 255.3±28.7 °C

Anticonvulsant agent 2

Anticonvulsant agent 2 is a potent and orally active anticonvulsant agent. Anticonvulsant agent 2 shows antiepileptic activity[1].

  • CAS Number: 75220-84-7
  • MF: C21H17ClN2
  • MW: 332.83
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Clofentezine

Clofentezine, a growth inhibitor, has sublethal effects on life-table parameters of Tetranychus urticae Koch females.

  • CAS Number: 74115-24-5
  • MF: C14H8Cl2N4
  • MW: 303.14600
  • Catalog: Others
  • Density: 1.398g/cm3
  • Boiling Point: 504.4ºC at 760 mmHg
  • Melting Point: 182-185 °C(lit.)
  • Flash Point: 290.4ºC

Rosmarinic acid

Rosmarinic acid racemate is the racemate of Rosmarinic acid. Rosmarinic acid inhibits MAO-A, MAO-B and COMT enzymes with IC50s of 50.1, 184.6 and 26.7 μM, respectively.

  • CAS Number: 537-15-5
  • MF: C18H16O8
  • MW: 360.315
  • Catalog: Monoamine Oxidase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 694.7±55.0 °C at 760 mmHg
  • Melting Point: 171-175ºC(lit.)
  • Flash Point: 254.5±25.0 °C

Fostemsavir Tris

Fostemsavir Tris (BMS-663068 (Tris)) is the phosphonooxymethyl prodrug of BMS-626529. Fostemsavir Tris (BMS-663068 (Tris)) is a novel attachment inhibitor that targets HIV-1 gp120 and prevents its binding to CD4+ T cells.

  • CAS Number: 864953-39-9
  • MF: C29H37N8O11P
  • MW: 704.625
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anisomycin

Anisomycin is a potent protein synthesis inhibitor which interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.

  • CAS Number: 22862-76-6
  • MF: C14H19NO4
  • MW: 265.305
  • Catalog: DNA/RNA Synthesis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 398.7±42.0 °C at 760 mmHg
  • Melting Point: 140-141ºC
  • Flash Point: 194.9±27.9 °C

Iberiotoxin

Iberiotoxin is a toxin isolated from Buthus tamulus scorpion venom. Iberiotoxin is a selective high conductance high conductance Ca2+-activated K+ channel inhibitor with a Kd of ~1 nM. Iberiotoxin does not block other types of voltage-dependent ion channels[1][2][3].

  • CAS Number: 129203-60-7
  • MF: C179H274N50O55S7
  • MW: 4230.85
  • Catalog: Potassium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BI 224436

BI 224436 is a novel HIV-1 noncatalytic site integrase inhibitor with EC50 values of less than 15 nM against different HIV-1 laboratory strains.

  • CAS Number: 1155419-89-8
  • MF: C27H26N2O4
  • MW: 442.506
  • Catalog: HIV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 631.8±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 335.9±31.5 °C

Fmoc-Glu(OtBu)-OH-15N

Fmoc-Glu(OtBu)-OH-15N is a 15N-labeled Fmoc-L-Val-OH[1].

  • CAS Number: 191925-20-9
  • MF: C24H2715NO6
  • MW: 426.47
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Honokiol DCA

Honokiol DCA (Honokiol dichloroacetate) is a dichloroacetate analog of Honokiol. Honokiol DCA can inhibit the growth of human prostate cancer cells in vitro and suppress the androgen receptor (AR) protein level[1].

  • CAS Number: 1620160-42-0
  • MF: C22H18Cl4O4
  • MW: 488.19
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A