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

Imidazol-1-yl compound 1

Imidazol-1-yl compound 1 is a compound which can be used to treat gastro intestinal functional disorders in the lower intestinal tracts extracted from patent DE 4238553 A1.

  • CAS Number: 120635-47-4
  • MF: C20H21N3O
  • MW: 319.40000
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

16-O-Methylcafestol

16-O-Methylcafestol is a derivative of cafestol that can be isolated from green coffee beans[1].

  • CAS Number: 108214-28-4
  • MF: C21H30O3
  • MW: 330.46100
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-(Trifluoromethyl)-L-phenylglycine

4-(Trifluoromethyl)-L-phenylglycine is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 144789-75-3
  • MF: C9H8F3NO2
  • MW: 219.16100
  • Catalog: Others
  • Density: 1.415 g/cm3
  • Boiling Point: 297.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 133.6ºC

Apafant

Apafant (WEB 2086), a potent platelet-activating factor (PAF) antagonist, inhibits PAF binding to human PAF receptors with a Ki of 9.9 nM[1].

  • CAS Number: 105219-56-5
  • MF: C22H22ClN5O2S
  • MW: 455.96
  • Catalog: Inflammation/Immunology
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 720.2±70.0 °C at 760 mmHg
  • Melting Point: 186-188ºC
  • Flash Point: 389.4±35.7 °C

Isoscoparin

Isoscoparin is a flavonoid that could be isolated from EtOAc extract of Gentiana algida Pall. Isoscoparin possesses antioxidant activity[1].

  • CAS Number: 20013-23-4
  • MF: C22H22O11
  • MW: 462.40300
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: 818.6±65.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

N5-3-Butenimidoyl-L-ornithine hydrochloride (1:1)

Vinyl-L-NIO hydrochloride is a potent nitric oxide synthase (NOS) inhibitor. Vinyl-L-NIO hydrochloride inhibits the activity of NOS, reducing the production of nitric oxide[1].

  • CAS Number: 728944-69-2
  • MF: C9H17N3O2.xHCl
  • MW: 235.711
  • Catalog: NO Synthase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fidaxomicin-D7

Fidaxomicin-D7 (OPT-80-D7) is the deuterium labeled Fidaxomicin. Fidaxomicin (OPT-80), a macrocyclic RNA polymerase inhibitor, has a narrow spectrum of activity. Fidaxomicin selectively eradicates pathogenic Clostridium difficile with minimal disruption to the multiple species of bacteria that make up the normal, healthy intestinal flora[1][2].

  • CAS Number: 2143934-06-7
  • MF: C52H67D7Cl2O18
  • MW: 1065.08
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Glicophenone

Glicophenone is an antibacterial agent with MICs of both 32 μg/mL against MRSA OM481, MRSA OM505, MRSA OM584, MRSA OM623 and MSSA 209P[1].

  • CAS Number: 303175-66-8
  • MF: C20H22O6
  • MW: 358.39
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Trihydro(tetrahydrofuran)boron-d3

Trihydro(tetrahydrofuran)boron-d3 is the deuterium labeled Trihydro(tetrahydrofuran)boron[1].

  • CAS Number: 96220-57-4
  • MF: C4H8D3BO
  • MW: 88.96
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mal-PEG1-Val-Cit-PABC-OH

Mal-PEG1-Val-Cit-PABC-OH is a cleavable 1 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 2055041-37-5
  • MF: C27H38N6O8
  • MW: 574.63
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Suc-Ala-Ala-Pro-Ala-pNA

Suc-AAPA-pNA is a substrate of chymotrypsin Aα. Suc-AAPA-pNA can be used to test chymotrypsin Aα activity[1].

  • CAS Number: 72682-69-0
  • MF: C24H32N6O9
  • MW: 548.55
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pestalotin

Pestalotin, a fungal lactone, is a secondary metabolite of endophytic fungus Pestalotiopsis microspore[1].

  • CAS Number: 34565-32-7
  • MF: C11H18O4
  • MW: 214.25800
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid

Ibuprofen D3 is a deuterium labeled Ibuprofen. Ibuprofen is a COX-1 and COX-2 inhibitor with IC50s of 13 μM and 370 μM[1].

  • CAS Number: 121662-14-4
  • MF: C13H15D3O2
  • MW: 209.299
  • Catalog: COX
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 319.6±11.0 °C at 760 mmHg
  • Melting Point: 69-71ºC
  • Flash Point: 216.7±14.4 °C

IMR-1

IMR-1 is a novel class of Notch inhibitors targeting the transcriptional activation with IC50 of 6 μmol/L.target: NotchIC 50: 6 μmol/LIn vitro: IMR-1 prevents the recruitment of Maml1 to the NTC on chromatin, inhibits Notch target gene transcription, and dramatically inhibits tumor growth .A decrease in colony formation of Notch-dependent cell lines is observed upon treatment with IMR-1 when compared with the control (DMSO). In vivo : The reference for intraperitoneal injection is 15 mg/kg. IMR-1 inhibits Notch-dependent somite development in zebrafish.

  • CAS Number: 310456-65-6
  • MF: C15H15NO5S2
  • MW: 353.413
  • Catalog: Notch
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

dTRIM24

dTRIM24 is a selective bifunctional degrader of TRIM24 based on PROTAC.

  • CAS Number: 2170695-14-2
  • MF: C55H68N8O13S2
  • MW: 1113.3
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tosufloxacin

Tosufloxacin (A-61827) is an orally active fluoroquinolone antibiotic. Tosufloxacin shows a broad spectrum of antibacterial activity against gram-positive and gram-negative bacteria[1][2].

  • CAS Number: 100490-36-6
  • MF: C19H15F3N4O3
  • MW: 404.34300
  • Catalog: Bacterial
  • Density: 1.558g/cm3
  • Boiling Point: 614.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 325.4ºC

(R)-pyrrolidine-3-carboxylic acid

(R)-Pyrrolidine-3-carboxylic acid is a proline derivative[1].

  • CAS Number: 72580-54-2
  • MF: C5H9NO2
  • MW: 115.131
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 252.2±33.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 106.3±25.4 °C

SLV 320

Derenofylline is a potent, selective and orally active adenosine A1 receptor antagonist, with Ki values of 1 nM, 200 nM and 398 nM for human A1, A3 and A2Areceptors respectively. Derenofylline suppresses cardiac fibrosis and attenuates albuminuria without affecting blood pressure in rats[1].

  • CAS Number: 251945-92-3
  • MF: C18H20N4O
  • MW: 308.37800
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate

Ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate is an active compound, and can be used in the synthesis of 2-phenylthiomethyl-indole derivatives, 2-phenylthiomethyl-indole derivative is a 5-lipoxygenase (5-LO) inhibitor[1].

  • CAS Number: 7598-91-6
  • MF: C12H13NO3
  • MW: 219.23700
  • Catalog: Others
  • Density: 1.282 g/cm3
  • Boiling Point: 406.7ºC at 760 mmHg
  • Melting Point: 205-208ºC(lit.)
  • Flash Point: 199.7ºC

Thiazovivin

Thiazovivin is a potent ROCK inhibitor, which can protect human embryonic stem cells.

  • CAS Number: 1226056-71-8
  • MF: C15H13N5OS
  • MW: 311.362
  • Catalog: ROCK
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

WAY-100635 Maleate

WAY-100635 Maleate is a potent and selective 5-HT1A Receptor antagonist with a pIC50 of 8.87, an apparent pA2 of 9.71.

  • CAS Number: 1092679-51-0
  • MF: C29H38N4O6
  • MW: 538.635
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

kaempferol 7-O-β-D-glucopyranoside

Kaempferol-7-O-β-D-glucopyranoside is a flavonoid isolated from Malus pumila Mill. flowers, has antioxidative, anti-inflammatory and procoagulant activitives[1][2][3].

  • CAS Number: 16290-07-6
  • MF: C21H20O11
  • MW: 448.377
  • Catalog: Inflammation/Immunology
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 810.2±65.0 °C at 760 mmHg
  • Melting Point: 269-271℃
  • Flash Point: 287.0±27.8 °C

Cys-Gly, oxidized

2-((R)-2-Amino-3-(((R)-2-amino-3-((carboxymethyl)amino)-3-oxopropyl)disulfanyl)propanamido)acetic acid is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 7729-20-6
  • MF: C10H18N4O6S2
  • MW: 354.40300
  • Catalog: Others
  • Density: 1.535g/cm3
  • Boiling Point: 788.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 430.7ºC

Norfloxacin

Norfloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria, which functions by inhibiting DNA gyrase.Target: DNA gyrase; AntibacterialNorfloxacin is a synthetic chemotherapeutic antibacterial agent occasionally used to treat common as well as complicated urinary tract infections. Norfloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria. It functions by inhibiting DNA gyrase, a type II topoisomerase, and topoisomerase IV, enzymes necessary to separate bacterial DNA, thereby inhibiting cell division.There are currently three approved uses in the adult population (one of which is restricted) and the other ineffective due to bacterial resistance. Chibroxin (ophthalmic) is approved for use in children older than one year of age.Norfloxacin is associated with a number of rare serious adverse reactions as well as spontaneous tendon ruptures and irreversible peripheral neuropathy. Tendon problems may manifest long after therapy had been completed and in severe cases may result in lifelong disabilities. Hepatoxicity resulting in fatalities has also been reported with the use of norfloxacin.

  • CAS Number: 70458-96-7
  • MF: C16H18FN3O3
  • MW: 319.331
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 555.8±50.0 °C at 760 mmHg
  • Melting Point: 220°C
  • Flash Point: 289.9±30.1 °C

3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione

MSX-2 is A2A adenosine receptor antagonist, with Ki of 5 nM in human that plays an important role in Parkinson's disease[1][2].

  • CAS Number: 261717-18-4
  • MF: C21H22N4O4
  • MW: 394.42400
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antitumor agent-71

Antitumor Agent-71 is an antiproliferative activity antitumor agent and against tumor cell lines with IC50 values ranging from 3.98-15.70 μM. Antitumor Agent-71 is an antitumor agent that can inhibit tubulin polymerization.

  • CAS Number: 2011756-99-1
  • MF: C26H31N5O4S
  • MW: 509.62
  • Catalog: Microtubule/Tubulin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MC-VC-PABC-Aur0101

MC-VC-PABC linker is a protease-cleavable ADC linker used in the synthesis of antibody-drug conjugates[1].

  • CAS Number: 1438849-92-3
  • MF: C68H100N12O14S
  • MW: 1341.66
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(RS)-3,5-DHPG

DHPG ((RS)-3,5-DHPG) is an amino acid, which acts as a selective and potent agonist of group I mGluR (mGluR 1 and mGluR 5), shows no effect on Group II or Group III mGluRs[1]. DHPG ((RS)-3,5-DHPG) is also an effective antagonist of mGluRs linked to phospholipase D[2].

  • CAS Number: 146255-66-5
  • MF: C8H9NO4
  • MW: 183.16100
  • Catalog: mGluR
  • Density: 1.55g/cm3
  • Boiling Point: 448.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 225.2ºC

Linderaspirone A

Linderaspirone A is a natural compound that can be isolated from the roots of Lindera aggregate. Linderaspirone A shows significant inhibitory effects on the production of prostaglandin E2 (PGE2),TNF-α, and IL-6 [1][2].

  • CAS Number: 1235126-46-1
  • MF: C34H32O10
  • MW: 600.61
  • Catalog: Interleukin Related
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 826.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 340.9±34.3 °C

Dimethyl malonate

Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1].

  • CAS Number: 108-59-8
  • MF: C5H8O4
  • MW: 132.115
  • Catalog: Apoptosis
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 177.1±8.0 °C at 760 mmHg
  • Melting Point: −62 °C(lit.)
  • Flash Point: 90.0±0.0 °C