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 caffeate acid

Methyl caffeate, an antimicrobial agent, shows moderate antimicrobial and prominent antimycobacterial activities. Methyl caffeate also exhibits α-glucosidase inhibition activity, oxidative stress inhibiting activity, anti-platelet activity, antiproliferative activity in cervix adenocarcinoma and anticancer activity in lung and leukmia cell lines[1].

  • CAS Number: 3843-74-1
  • MF: C10H10O4
  • MW: 194.18400
  • Catalog: Bacterial
  • Density: 1.318 g/cm3
  • Boiling Point: 367.6ºC at 760 mmHg
  • Melting Point: 158-161°C
  • Flash Point: 80 °C

7-Ethoxyresorufin-d5

7-Ethoxyresorufin-d5 is deuterium labeled 7-Ethoxyresorufin. 7-Ethoxyresorufin (Resorufin ethyl ether) is a fluorometric substrate and competitive inhibitor of cytochrome P450, especially CYP1A1. 7-Ethoxyresorufin also inhibits NO synthase[1][2].

  • CAS Number: 2749329-28-8
  • MF: C14H6D5NO3
  • MW: 246.27
  • Catalog: NO Synthase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Metrifonate

Metrifonate is an irreversible organophosphate acetylcholinesterase inhibitor that is used as an insecticide for the control of flies and roaches.

  • CAS Number: 52-68-6
  • MF: C4H8Cl3O4P
  • MW: 257.437
  • Catalog: AChE
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 269.4±40.0 °C at 760 mmHg
  • Melting Point: 77-81 °C
  • Flash Point: 116.7±27.3 °C

Fast Red TR Salt hemi(zinc chloride) salt

Fast red TR salt hemi (zinc chloride) is a diazonium dye with red color[1].

  • CAS Number: 89453-69-0
  • MF: C14H12Cl6N4Zn
  • MW: 514.399
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc-NH-PEG4-NHS ester

Boc-NH-PEG4-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 859230-20-9
  • MF: C20H34N2O10
  • MW: 462.491
  • Catalog: PROTAC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KDM4-IN-4

KDM4-IN-4 (compound 47) is a potent histone lysine demethylase 4 (KDM4) inhibitor with a modest affinity binding to ~80 μM for KDM4A-Tudor domain. KDM4-IN-4 can inhibit H3K4Me3 binding to the Tudor domain in cells with an EC50 value of 105 μM. KDM4-IN-4 can be used for researching anticancer[1].

  • CAS Number: 2230475-63-3
  • MF: C16H23NO
  • MW: 245.36
  • Catalog: Histone Demethylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LY-368975

LY-368975 is a potent and selective inhibitor of the norepinephrine (NE) reuptake site. LY-368975 reduces food consumption in rodents.

  • CAS Number: 163059-33-4
  • MF: C17H21NOS
  • MW: 287.42
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dihydrodehydrodiconiferyl alcohol 9-O-α-L-rhamnopyranoside

Dihydrodehydrodiconiferyl alcohol 9-O-α-L-rhamnopyranoside (compound 1) is a lignan with anti-HBC activity. Dihydrodehydrodiconiferyl alcohol 9-O-α-L-rhamnopyranoside targets HBV surface antigen with IC50s of 0.58 mM (HBsAg) and >2.4 mM (HBeAg). Dihydrodehydrodiconiferyl alcohol 9-O-α-L-rhamnopyranoside can be isolated from star anise[1].

  • CAS Number: 1252572-36-3
  • MF: C26H34O10
  • MW: 506.54200
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BRL 52537 HYDROCHLORIDE

BRL 52537 hydrochloride is a highly selective κ-Opioid receptor (KOR) agonist with Kis of 0.24 nM and 1560 nM for κ and μ subtypes, respectively. BRL 52537 hydrochloride decreases ischemia-evoked NO production as a potential mechanism of neuroprotection. BRL 52537 hydrochloride attenuates early stroke damage[1].

  • CAS Number: 112282-24-3
  • MF: C18H25Cl3N2O
  • MW: 391.76
  • Catalog: Opioid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FR 167653

FR-167653 is a selective p38 MAPK inhibitor.

  • CAS Number: 158876-66-5
  • MF: C24H20FN5O6S
  • MW: 525.50900
  • Catalog: p38 MAPK
  • Density: N/A
  • Boiling Point: 724.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 391.9ºC

NifluMic acid-13C6

Niflumic acid-13C6 is the 13C6 labeled Niflumic acid. Niflumic acid, a Ca2+-activated Cl- channel blocker, is an analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.

  • CAS Number: 1325559-33-8
  • MF: C713C6H9F3N2O2
  • MW: 288.174
  • Catalog: Chloride Channel
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

benzoylaconine

Benzoylaconine(Isaconitine; Pikraconitin) is an alkaloid in the Chinese traditional medicine Radix Aconiti Lateralis Preparata (Fuzi).

  • CAS Number: 466-24-0
  • MF: C32H45NO10
  • MW: 603.700
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 711.4±60.0 °C at 760 mmHg
  • Melting Point: 130°C
  • Flash Point: 384.0±32.9 °C

1-Propanone, 2,3-dibromo-1,3-diphenyl-

Chalcone dibromide is a useful synthon in the synthesis of a large number of bioactive molecules such as pyrazolines, hydroxy pyrazolines, isoxazoles etc. Chalcone dibromide possesses antioxidant effects against tumor cells by inhibiting superoxide production and lipid peroxidation. Chalcone dibromide can be used for cancer disease research[1].

  • CAS Number: 611-91-6
  • MF: C15H12Br2O
  • MW: 368.06
  • Catalog: Cancer
  • Density: 1.631g/cm3
  • Boiling Point: 411.5ºC at 760 mmHg
  • Melting Point: 156ºC
  • Flash Point: 104.7ºC

eIF4A3-IN-7

eIF4A3-IN-7 is a potent inhibitor of eIF4A3. eIF4A3-IN-7 has the potential for researching cancer and other dysproliferative diseases (extracted from patent WO2019161345A1, Compound 8)[1].

  • CAS Number: 2374759-82-5
  • MF: C26H25NO7
  • MW: 463.48
  • Catalog: Eukaryotic Initiation Factor (eIF)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CrBKA

CrBKA is a fluorogenic small-molecule substrate of SIRT6 with weak activity[1].

  • CAS Number: 2260810-48-6
  • MF: C28H31N3O6
  • MW: 505.56
  • Catalog: Sirtuin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NBQX

NBQX is a highly selective and competitive AMPA receptor antagonist.

  • CAS Number: 118876-58-7
  • MF: C12H8N4O6S
  • MW: 336.28000
  • Catalog: iGluR
  • Density: 2.005g/cm3
  • Boiling Point: 613.386ºC at 760 mmHg
  • Melting Point: 361ºC
  • Flash Point: 324.764ºC

(R,S,R)-ML334

(R,S,R)-ML334 is the inactive isomer of ML334 (HY-110258), and can be used as an experimental control. ML334 is a potent, cell permeable activator of NRF2 by inhibition of Keap1-NRF2 protein-protein interaction. ML334 binds to Keap1 Kelch domain with a Kd of 1 μM. ML334 stimulates NRF2 expression and nuclear translocation and induces antioxidant response elements (ARE) activity[1][2].

  • CAS Number: 1432065-33-2
  • MF: C26H26N2O5
  • MW: 446.50
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MC-Val-Cit-PAB-Indibulin

MC-Val-Cit-PAB-indibulin has a bioreversible linkage based on a quaternary ammonium for targeted delivery and it can improve pharmacokinetics and the therapeutic index. MC-Val-Cit-PAB-indibulin is used for the antibody-drug conjugates (ADC) that are effective and stable in vitro and in vivo to treat various diseases or disorders[1].

  • CAS Number: 2055896-95-0
  • MF: C50H55ClN9O8
  • MW: 945.48
  • Catalog: Drug-Linker Conjugates for ADC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CCG 203769

CCG-203769 is a selective G protein signaling (RGS4) inhibitor, which blocks the RGS4-Gαo protein-protein interaction in vitro with an IC50 of 17 nM.

  • CAS Number: 410074-60-1
  • MF: C8H14N2O2S
  • MW: 202.274
  • Catalog: RGS Protein
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 264.3±23.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 113.6±22.6 °C

TAT 14TFA

TAT-14 is a 14-mer peptide that acts as Nrf2 activator with an anti-inflammatory effect. TAT-14 has no effect on Nrf2 mRNA expression, but increases Nrf2 protein level due to targeting the Nrf2 binding site on Keap1[1].

  • CAS Number: 1362661-34-4
  • MF: C137H230N48O39
  • MW: 3173.59
  • Catalog: Keap1-Nrf2
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Biotin-C4-amide-C5-NH2

Biotin-C4-amide-C5-NH2 is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 151294-96-1
  • MF: C14H26N4O2S
  • MW: 314.447
  • Catalog: ADC Linker
  • Density: 1.1±0.0 g/cm3
  • Boiling Point: 650.1±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 347.0±0.0 °C

RSV L-protein-IN-5

RSV L-protein-IN-5 (compound E) is a potent inhibitor of Respiratory syncytial virus (RSV) (EC50=0.1 μM). RSV L-protein-IN-5 inhibits Polymerase (IC50=0.66 μM),and blocks RSV mRNA synthesis by inhibiting guanylation of viral transcripts. RSV L-protein-IN-5 shows moderate cytotoxicity (CC50=10.7 μM,HEp-2),also exhibits activity and lowers virus titers in mouse models of RSV infection[1].

  • CAS Number: 851658-28-1
  • MF: C31H36N6O4
  • MW: 556.66
  • Catalog: RSV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Palonidipine

Palonidipine is a calcium antagonist which is potential for the therapy of angina-pectoris and hypertension[1][2][3].

  • CAS Number: 96515-73-0
  • MF: C29H34FN3O6
  • MW: 539.60
  • Catalog: Calcium Channel
  • Density: 1.216g/cm3
  • Boiling Point: 619.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 328.2ºC

7-[(1,4,5,6-Tetrahydro-4-methyl-6-oxopyridazin)-3-yl]-4H-1,4-benzoxazin-3(2H)-one

Bemoradan (compound 10a) is an orally active and selective canine Phosphodiesterase (PDE) fraction III inhibitor. Bemoradan is a long-acting, potent, inotropic vasodilator and a novel cardiotonic agent, and can be used in congestive heart failure research[1].

  • CAS Number: 112018-01-6
  • MF: C13H13N3O3
  • MW: 259.26
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAY-850

BAY-850 is a potent and isoform selective ATPase family AAA domain-containing protein 2 (ATAD2) inhibitor, with an IC50 of 166 nM.

  • CAS Number: 2099142-76-2
  • MF: C38H44ClN5O3
  • MW: 654.24
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Elarekibep

Elarekibep (PRS-060) (AZD1402) is a high affinity, slowly dissociating, long-acting full antagonist of IL-4Ra. Elarekibep can be used for the research of T2 endotype asthma[1].

  • CAS Number: 2485020-60-6
  • MF:
  • MW:
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vofopitant

Vofopitant is potent tachykinin NK1 receptor antagonist, with pKis of 10.6, 9.5, and 9.8 for human, rat and ferret NK1 receptor, respectively.

  • CAS Number: 168266-90-8
  • MF: C21H23F3N6O
  • MW: 432.44200
  • Catalog: Neurokinin Receptor
  • Density: 1.39g/cm3
  • Boiling Point: 542.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 281.9ºC

Zymostenol

Zymostenol (5a-Cholest-8-en-3b-ol) is a late-stage precursor in the biosynthesis of cholesterol. Zymostenol is a RORγ agonist (EC50: 1 μM)[1][2][3].

  • CAS Number: 566-97-2
  • MF: C27H46O
  • MW: 386.65400
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6-Azido-D-lysine hydrochloride

6-Azido-D-lysine hydrochloride is a click chemistry reagent containing an azide[1].

  • CAS Number: 2098497-01-7
  • MF: C6H13ClN4O2
  • MW: 208.65
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Beta-Lapachone

β-Lapachone is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression.

  • CAS Number: 4707-32-8
  • MF: C15H14O3
  • MW: 242.270
  • Catalog: Autophagy
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 381.4±42.0 °C at 760 mmHg
  • Melting Point: >110ºC (dec.)
  • Flash Point: 169.7±27.9 °C