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

SNIPER(ABL)-062

SNIPER(ABL)-062, in which an ABL inhibitor is linked to a ligand of cIAP1 via a linker containing a variable polyethylene glycol (PEG) unit, shows a potent activity to degrade the BCR-ABL protein[1].

  • CAS Number: 2140260-89-3
  • MF: C53H63ClF2N10O9S
  • MW: 1089.64
  • Catalog: Bcr-Abl
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Physcion

Physcion (Parietin) is an anthraquinone isolated from traditional Chinese medicine Radix et Rhizoma Rhei, acts as an inhibitor of 6-phosphogluconate dehydrogenase, with an IC50 and a Kd of 38.5 μM and 26.0 μM, respectively[1][2]. Physcion (Parietin) exhibits laxative, hepatoprotective, anti-inflammatory, anti-microbial, anti-proliferative and anti-tumor effects[2].

  • CAS Number: 521-61-9
  • MF: C16H12O5
  • MW: 284.26
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 560.5±50.0 °C at 760 mmHg
  • Melting Point: 196-206°C
  • Flash Point: 215.4±23.6 °C

Benzene,1-nitro-4-(2-nitroethenyl)-

SARS-CoV-2 3CLpro-IN-15 (compound a) is a beta-nitrostyrene coronavirus SARS-CoV-2 inhibitor that targets the SARS-CoV-2 3CL protease (3CLpro). SARS-CoV-2 3CLpro-IN-15 inhibits viral replication and transcription and plays a key role in the discovery of anti-COVID-19 lead compounds[1].

  • CAS Number: 3156-41-0
  • MF: C8H6N2O4
  • MW: 194.14
  • Catalog: SARS-CoV
  • Density: 1.401g/cm3
  • Boiling Point: 320ºC at 760mmHg
  • Melting Point: 203-205ºC
  • Flash Point: 156.9ºC

CGP 13501

CGP13501 is a positive allosteric modulator of GABAB receptor. CGP13501 is a structural analogue of propofol[1].

  • CAS Number: 56189-68-5
  • MF: C19H30O2
  • MW: 290.44
  • Catalog: GABA Receptor
  • Density: 0.965g/cm3
  • Boiling Point: 344.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 146.8ºC

MM-589 TFA

MM-589 TFA is a potent inhibitor of WD repeat domain 5 (WDR5) and mixed lineage leukemia (MLL) protein-protein interaction. MM-589 binds to WDR5 with an IC50 of 0.90 nM and inhibits the MLL H3K4 methyltransferase activity with an IC50 of 12.7 nM[1].

  • CAS Number: 2097887-21-1
  • MF: C30H45F3N8O7
  • MW: 686.72
  • Catalog: Histone Methyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Guaijaverin

Guaijaverin is a urease inhibitor with an IC50 of 120 μM. Guaijaverin shows antioxidant and anti-Streptococcus mutans activities[1][2][3].

  • CAS Number: 22255-13-6
  • MF: C20H18O11
  • MW: 434.350
  • Catalog: Bacterial
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 828.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 296.3±27.8 °C

Aflatoxin G1

Aflatoxin G1 is one type of aflatoxins occuring in nature. It is produced by molds, such as Aspergillus flavus and Aspergillus parasiticus. Aflatoxins are hepatogenic, teratogenic, imunosuppressive, and carcinogenic fungal metabolites found in feeds, nuts, wine-grapes, spices, and other grain crops[1][2].

  • CAS Number: 1165-39-5
  • MF: C17H12O7
  • MW: 328.273
  • Catalog: Cancer
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 612.1±55.0 °C at 760 mmHg
  • Melting Point: 244-246ºC
  • Flash Point: 274.1±31.5 °C

Darapladib

Darapladib is a potent inhibitor of lipoprotein-associated phospholipase A2 (Lp-PLA2) with IC50 of 0.25 nM.

  • CAS Number: 356057-34-6
  • MF: C36H38F4N4O2S
  • MW: 666.771
  • Catalog: Phospholipase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 741.0±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 401.9±35.7 °C

DDR2-IN-1

DDR2-IN-1 is potent DDR2 inhibitor with an IC50 of 26 nM. DDR2-IN-1, compound 129, can be used for osteoarthritis research[1].

  • CAS Number: 1573053-23-2
  • MF: C27H32ClN5O4
  • MW: 526.03
  • Catalog: Discoidin Domain Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ppicolinic-3,4,5,6-d4 acid

Ppicolinic-3,4,5,6-d4 acid is the deuterium labeled Ppicolinic acid[1].

  • CAS Number: 284487-61-2
  • MF: C6HD4NO2
  • MW: 127.13400
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KRAS G12D inhibitor 5

KRAS G12D inhibitor 5 is a KRAS G12D inhibitor for the potential treatment of pancreatic cancer.

  • CAS Number: 2621928-53-6
  • MF: C31H31ClF2N6O2
  • MW: 593.07
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATR-IN-15

ATR-IN-15 (compound 1) is an orally active and potent ATR kinase inhibitor, with an IC50 of 8 nM. ATR-IN-15 also inhibits human colon tumor cells LoVo, DNA-PK and PI3K, with IC50 values of 47, 663 and 5131 nM, respectively[1].

  • CAS Number: 2756665-52-6
  • MF: C19H22N8O
  • MW: 378.43
  • Catalog: ATM/ATR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IPA-3

IPA-3 is a selective non-ATP competitive PAK1 inhibitor with IC50 of 2.5 μM, and shows no inhibition to group II PAKs (PAKs 4-6).

  • CAS Number: 42521-82-4
  • MF: C20H14O2S2
  • MW: 350.454
  • Catalog: PAK
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 543.7±35.0 °C at 760 mmHg
  • Melting Point: 172℃
  • Flash Point: 263.4±24.7 °C

Nalidixic Acid-d5

Nalidixic Acid-d5 is the deuterium labeled Nalidixic acid. Nalidixic acid, a quinolone antibiotic, is effective against both gram-positive and gram-negative bacteria. Nalidixic acid acts in a bacteriostatic manner in lower concentrations and is bactericidal in higher concentrations. Nalidixic acid inhibits a subunit of DNA gyrase and topoisomerase IV and reversibly blocks DNA replication in susceptible bacteria[1].

  • CAS Number: 1189467-36-4
  • MF: C12H12N2O3
  • MW: 232.23528
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 229-230°C
  • Flash Point: N/A

6-FAM-PEG3-Azide

6-FAM-PEG3-Azide is a fluorescent dye that can be used to label oligonucleotide[1].

  • CAS Number: 412319-45-0
  • MF: C29H28N4O9
  • MW: 576.56
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Eicosapentaenoic Acid methyl ester

Eicosapentaenoic acid methyl ester is a degradant of a monogalactosyl diacylglycerol (an anticancer compound by inducing apoptosis)[1].

  • CAS Number: 2734-47-6
  • MF: C21H32O2
  • MW: 316.478
  • Catalog: Others
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 402.8±34.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 104.4±24.0 °C

Biotin-peg6-t-butylester

Biotin-PEG6-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1352814-07-3
  • MF: C29H53N3O10S
  • MW: 635.81
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KRN5

KRN5 is a Nuclear factor of activated T cells 5 (NFAT5) suppressor, with an IC50 of 750 nM.

  • CAS Number: 1800465-47-7
  • MF: C27H22FNO5
  • MW: 459.47
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GRK5-IN-2

GRK5-IN-2 (compound 707), a pyridine-based bicyclic compound, is a potent G-protein-coupled receptor kinase 5 (GRK5) inhibitor. GRK5-IN-2 regulates the expression and/or release of insulin and is useful for the metabolic disease research[1].

  • CAS Number: 1642839-27-7
  • MF: C20H20N4O4
  • MW: 380.40
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Myricetin 3-O-galactoside

Myricetin 3-O-galactoside, isolated from the leaves of Myrtus communis, inhibits xanthine oxidase (XO) activity, lipid peroxidation and scavenges the free radical. Myricetin 3-O-galactoside inhibits lipid peroxidation with an IC50 of 160 μg/mL. Antioxidant activity[1].

  • CAS Number: 15648-86-9
  • MF: C21H20O13
  • MW: 480.376
  • Catalog: Xanthine Oxidase
  • Density: 2.0±0.1 g/cm3
  • Boiling Point: 957.8±65.0 °C at 760 mmHg
  • Melting Point: 198-201℃
  • Flash Point: 334.9±27.8 °C

m-C-tri(CH2-PEG1-NHSester)

m-C-tri(CH2-PEG1-NHS ester) is a non-cleavable 1 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 173414-89-6
  • MF: C26H33N3O15
  • MW: 627.55
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sorivudine

Sorivudine (BV-araU) is an orally active synthetic pyrimidine nucleoside antimetabolite drug. Sorivudine derives its antiviral activity from selective conversion by a specific thymidine kinase present in certain DNA viruses to nucleotides, which can in turn interfere with viral DNA synthesis[1].

  • CAS Number: 77181-69-2
  • MF: C11H13BrN2O6
  • MW: 349.13500
  • Catalog: DNA/RNA Synthesis
  • Density: 1.979g/cm3
  • Boiling Point: N/A
  • Melting Point: 182 °C
  • Flash Point: N/A

ABL127

ABL127 is a selective and covalent inhibitor of protein methylesterase 1 (PME-1) with IC50s of 6.4 nM and 4.2 nM in HEK293T and MDA-MB-231 cells, respectively.

  • CAS Number: 1073529-41-5
  • MF: C17H20N2O5
  • MW: 332.351
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 422.8±48.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 209.5±29.6 °C

2-(3,4-Dihydroxy-benzylidene)-benzofuran-3-one,Sphingosine Kinase Inhibitor V

SKI V is a noncompetitive and potent non-lipid sphingosine kinase (SPHK; SK) inhibitor with an IC50 of 2 μM for GST-hSK. SKI V potently inhibits PI3K with an IC50 of 6 μM for hPI3k. SKI V decreases formation of the mitogenic second messenger sphingosine-1-phosphate (S1P). SKI V induces apoptosis and has antitumor activity[1][2].

  • CAS Number: 24418-86-8
  • MF: C15H10O4
  • MW: 254.24
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Noscapine hydrochloride

Noscapine hydrochloride ((S,R)-Noscapine hydrochloride) is an orally active phthalideisoquinoline alkaloid with potent antitussive. Noscapine hydrochloride exerts its antitussive effects by activating sigma opioid receptors and is a non-competitive Bradykinin inhibitor. Noscapine hydrochloride disrupts microtubule dynamics, induces mitotic arrest and apoptosis. Noscapine hydrochloride possesses anticancer, neuroprotective, anti-inflammatory activities, and can crosse the blood-brain barrier[1][2][3][4][5].

  • CAS Number: 912-60-7
  • MF: C22H24ClNO7
  • MW: 449.882
  • Catalog: Apoptosis
  • Density: 1.332g/cm3
  • Boiling Point: 565.3ºC at 760mmHg
  • Melting Point: 221-223ºC
  • Flash Point: 295.7ºC

NBI-921352

NBI-921352 (XEN901) is a potent inhibitor of sodium channels, specially targeting Nat/1.6 channels. NBI-921352 (XEN901) treats the nervous system pathologies of epilepsy effectively without adverse side effects (extracted from patent WO2017201468A1)[1].

  • CAS Number: 2154408-63-4
  • MF: C22H25FN4O2S2
  • MW: 460.59
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tiopronin

Tiopronin is a prescription thiol drug used to control the rate of cystine precipitation and excretion in the disease cystinuria.Target: OthersTiopronin is used primarily for cystinuria and is well known in the cystinuric community. Depending on the severity of a person's cystinuria, tiopronin may be taken for life, possibly starting in early childhood. It may also be used for Wilson's disease (an overload of copper in the body), and certain types of rare arthritis, though tiopronin is not an anti-inflammatory. Tiopronin is also sometimes used as a stabilizing agent for metal nanoparticles. The thiol group binds to the nanoparticles, preventing coagulation [1, 2].

  • CAS Number: 1953-02-2
  • MF: C5H9NO3S
  • MW: 163.195
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 418.3±30.0 °C at 760 mmHg
  • Melting Point: 93-98 °C
  • Flash Point: 206.8±24.6 °C

SSR 411298

SSR411298 is an orally active, selective and reversible fatty acid amide hydrolase (FAAH) inhibitor. SSR411298 has the potential for post-traumatic stress disorder research[1].

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

Cetylpyridinium chloride monohydrate

Cetylpyridinium chloride monohydrate is a cationic quaternary ammonium compound, used in some types of mouthwashes, toothpastes, throat and nasal sprays, is an antiseptic that kills bacteria and other microorganisms, effective in preventing dental plaque and reducing gingivitis.

  • CAS Number: 6004-24-6
  • MF: C21H40ClNO
  • MW: 358.001
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 81-84 °C
  • Flash Point: N/A

MLCK inhibitor peptide 18

MLCK inhibitor peptide 18 is a myosin light chain kinase (MLCK) inhibitor with an IC50 of 50 nM, and inhibits CaM kinase II only at 4000-fold higher concentrations.

  • CAS Number: 224579-74-2
  • MF: C60H105N23O11
  • MW: 1324.62000
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A