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

ARS-2102

ARS-2102 is a potent covalent KRAS G12C inhibitor for use in cancer research[1].

  • CAS Number: 2098509-21-6
  • MF: C28H31ClF2N6O2
  • MW: 557.03
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nintedanib Ethanesulfonate Salt

Nintedanib esylate (BIBF 1120 esylate) is a potent triple angiokinase inhibitor for VEGFR1/2/3, FGFR1/2/3 and PDGFRα/β with IC50s of 34 nM/13 nM/13 nM, 69 nM/37 nM/108 nM and 59 nM/65 nM, respectively.

  • CAS Number: 656247-18-6
  • MF: C33H39N5O7S
  • MW: 649.757
  • Catalog: FGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(-)-6,7,8,9-Tetrahydro-1,5,8-trimethylnaphtho[2,1-b]furan

Dihydropyrocurzerenone is a furanosesquiterpene isolated from the resin of Commiphora sphaerocarpa[1].

  • CAS Number: 59462-26-9
  • MF: C15H18O
  • MW: 214.303
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 328.2±11.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 154.8±6.1 °C

Prosapogenin A

Prosapogenin A, a natural product from Veratrum, induces apoptosis in human cancer cells in vitro via inhibition of the STAT3 signaling pathway and glycolysis[1].

  • CAS Number: 19057-67-1
  • MF: C39H62O12
  • MW: 722.902
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 838.8±65.0 °C at 760 mmHg
  • Melting Point: 212℃
  • Flash Point: 461.1±34.3 °C

GNE-274

GNE-274 is a non-degrader that is structurally related to GDC-0927 (ER degrader). GNE-274 does not induce ER turnover and functions as a partial ER agonist in breast cancer cell lines. GNE-274 increase chromatin accessibility at ER-DNA binding sites, while GDC-0927 do not. GNE-274 is a potent inhibitor of ER-ligand binding domain (LBD). GNE-274 can be used for cancer research[1][2].

  • CAS Number: 2369048-69-9
  • MF: C29H31NO4
  • MW: 457.56
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-O-Methyl-6-Prenylnaringenin

7-O-Methyl-6-Prenylnaringenin is an active compound. 7-O-Methyl-6-Prenylnaringenin can be isolated from Humulus lupulus[1].

  • CAS Number: 261776-61-8
  • MF: C21H22O5
  • MW: 354.396
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 585.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 208.6±23.6 °C

Ethyl Oleate

Ethyl Oleate is a fatty acid ester formed by the condensation of oleic acid and ethanol. Ethyl oleate is the liquid lipid component in nanostructured lipid carriers (NLCs). NLC is a promising vehicle for oral trans-Ferulic acid (TFA) administration[1].

  • CAS Number: 111-62-6
  • MF: C20H38O2
  • MW: 310.514
  • Catalog: Others
  • Density: 0.87 g/mL at 25 °C(lit.)
  • Boiling Point: 216-218 °C15 mm Hg
  • Melting Point: −32 °C(lit.)
  • Flash Point: 91.8±20.4 °C

MS-444

MS-444 inhibits the activity of purified smooth muscle myosin light chain kinase (MLCK) with an IC50 value of 10 μM.

  • CAS Number: 150045-18-4
  • MF: C13H10O4
  • MW: 230.21600
  • Catalog: Myosin
  • Density: 1.452g/cm3
  • Boiling Point: 448.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 225.2ºC

PK095

PK095 is a p53 mutant stabilizer. PK095 can be used for research of cancer[1].

  • CAS Number: 380314-37-4
  • MF: C20H18N4O2S
  • MW: 378.45
  • Catalog: MDM-2/p53
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,3-Dinitroglycerin-d5

1,3-Dinitroglycerin-d5 is the deuterium labeled 1,3-Dinitroglycerin[1].

  • CAS Number: 2733972-23-9
  • MF: C3HD5N2O7
  • MW: 187.12
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethanone

BADAN (6-Bromoacetyl-2-dimethylaminonaphthalene) is a polarity-sensitive fluorescent probe[1].

  • CAS Number: 210832-86-3
  • MF: C14H14BrNO
  • MW: 292.17100
  • Catalog: Others
  • Density: 1.416g/cm3
  • Boiling Point: 415.4ºC at 760mmHg
  • Melting Point: 117-120ºC
  • Flash Point: 205ºC

3-O-(2-Aminoethyl)-25-hydroxyvitamin D3

3-O-(2-Aminoethyl)-25-hydroxyvitamin D3 is a Vitamin D3 derivative.

  • CAS Number: 163018-26-6
  • MF: C30H51NO2
  • MW: 457.73100
  • Catalog: VD/VDR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Indanazoline

Indanazoline (as monohydrochloride active substance of Farial) is characterized by a pronounced vasoconstrictive action.

  • CAS Number: 40507-78-6
  • MF: C12H15N3
  • MW: 201.26800
  • Catalog: Cardiovascular Disease
  • Density: 1.3g/cm3
  • Boiling Point: 329.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 152.9ºC

ly 272015 hydrochloride

LY-272015 hydrochloride is an orally active, specific 5-HT2B receptor antagonist. LY-272015 hydrochloride completely inhibits the phosphorylation of ERK2 induced by 5-HT or BW723C86. LY-272015 hydrochloride is antihypertensive in Deoxycorticosterone Acetate (DOCA)-salt-hypertensive rats[1][2].

  • CAS Number: 172895-15-7
  • MF: C21H25ClN2O2
  • MW: 372.88800
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hexaconazole

Hexaconazole is a systemic fungicide used for the control of many fungi particularly Ascomycetes and Basidiomycetes. In vitro: Among the enzymatic antioxidants, superoxide dismutase and peroxidase are significantly up-regulated by hexaconazole. [1] Hexaconazole and its enantiomers cause the down-regulation of tryptophan levels and the up-regulation of kynurenine (KYN) levels, suggesting a role for hexaconazole in the activation of the KYN pathway and providing information for the mechanism of its toxicity.[2]

  • CAS Number: 79983-71-4
  • MF: C14H17Cl2N3O
  • MW: 314.210
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 490.3±55.0 °C at 760 mmHg
  • Melting Point: 111ºC
  • Flash Point: 250.3±31.5 °C

H2n-peg13-ch2ch2nh2

Amino-PEG13-amine is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1228119-65-0
  • MF: C28H60N2O13
  • MW: 632.78
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rel-(3R,4R)-3-(5,6-Dihydro-4H-Pyrrolo[3,2,1-Ij]Quinolin-1-Yl)-4-(1H-Indol-3-Yl)-2,5-Pyrrolidinedione

(rel)-Tivantinib is a potent and highly selective inhibitor of the receptor tyrosine kinase c-MET. (rel)-Tivantinib has two novel targets, GSK3α and GSK3β, which play an important role in the cellular mechanism of non-small cell lung cancer (NSCLC)[1].

  • CAS Number: 905853-99-8
  • MF: C23H19N3O2
  • MW: 369.42
  • Catalog: Cancer
  • Density: 1.49±0.1 g/cm3(Predicted)
  • Boiling Point: 715.9±60.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: 386.8±32.9 °C

Rosamultic acid

Rosamultic acid is an A-ring contracted triterpene, that can be isolated from the roots of Rosa rnultiflora. Rosamultic acid inhibits gastric cancer cells proliferation by inducing Apoptosis mediated through cell cycle arrest, downregulation of cell cycle related protein expressions, inhibition of cell migration, DNA damage, and activation of caspases[1][2].

  • CAS Number: 214285-76-4
  • MF: C30H46O5
  • MW: 486.683
  • Catalog: Apoptosis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 630.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 348.9±28.0 °C

Thiorphan-d7

Thiorphan-d7 is the deuterium labeled Thiorphan[1]. Thiorphan is a selective NEP (neprilysin) inhibitor with an IC50 of 6.9 nM[2].

  • CAS Number: 1276297-68-7
  • MF: C12H8D7NO3S
  • MW: 260.361
  • Catalog: Neprilysin
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 524.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 270.7±30.1 °C

Phenylpyrrolidone

1-Phenyl-2-pyrrolidinone (1-Phenylpyrrolidin-2-one) is a phenyl analogue of GABA with sedative effect, decreasing the exploratory behavior of rats at 50-100 mg/kg (i.v.). 1-Phenyl-2-pyrrolidinone also has been proved to inhibit emotional reactions in dogs and cats. 1-Phenyl-2-pyrrolidinone induces decreases in the pressor reaction to emotional stress without accompanied by normalization of the function of baroreceptor reflexes[1][2].

  • CAS Number: 4641-57-0
  • MF: C10H11NO
  • MW: 161.20
  • Catalog: GABA Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 355.5±11.0 °C at 760 mmHg
  • Melting Point: 67-69 °C(lit.)
  • Flash Point: 174.7±10.5 °C

Shionone

Shionone is the major triterpenoid isolated from Aster tataricus, has anti-tussive, anti-inflammatory activities[1][2]. Shionone possesses a unique six-membered tetracyclic skeleton and 3-oxo-4-monomethyl structure[1].

  • CAS Number: 10376-48-4
  • MF: C30H50O
  • MW: 426.717
  • Catalog: Inflammation/Immunology
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 485.6±14.0 °C at 760 mmHg
  • Melting Point: 161-162°
  • Flash Point: 200.5±15.1 °C

Neotripterifordin

Neotripterifordin is a inhibitor of HIV. Neotripterifordin has anti-HIV replication activity in H9 lymphocyte cells with an EC50 of 25 nM[1].

  • CAS Number: 149249-32-1
  • MF: C20H30O3
  • MW: 318.45
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TPN729

TPN729 is a novel potent, selective phosphodiesterase type 5 (PDE5) inhibitor with IC50 of 2.28 nM, shows better selectivity profile 2.5 times higher than sildenafil against PDE6 and 500 times higher than tadalafil against PDE11; selectively inhibits PDE5 and blocks the degradation of cyclic guanosine monophosphate, and is a promising PDE5 inhibitor providing fewer side effects and better compliance.

  • CAS Number: 936951-20-1
  • MF: C25H36N6O4S
  • MW: 516.661
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Asp-AMS

Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme.

  • CAS Number: 828288-98-8
  • MF: C14H19N7O9S
  • MW: 461.41
  • Catalog: Mitochondrial Metabolism
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Novaluron

Novaluron is a chemical with pesticide properties, belonging to the class of insecticides called insect growth regulators.

  • CAS Number: 116714-46-6
  • MF: C17H9ClF8N2O4
  • MW: 492.70500
  • Catalog: Others
  • Density: 1.601 g/cm3
  • Boiling Point: N/A
  • Melting Point: 177.5ºC
  • Flash Point: N/A

(cis-1,4-Dihydroxycyclohexyl)acetic acid

Rengynic acid can be isolated from the seeds of Forsythia suspensa. Rengynic acid has potent antiviral effect on RSV[1].

  • CAS Number: 517883-38-4
  • MF: C8H14O4
  • MW: 174.19
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 385.9±27.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 201.4±20.2 °C

ABT-333

Dasabuvir (ABT-333) is a nonnucleoside inhibitor of the RNA-dependent RNA polymerase encoded by the HCV NS5B gene, inhibits recombinant NS5B polymerases derived from HCV genotype 1a and 1b clinical isolates, with IC50 between 2.2 and 10.7 nM.

  • CAS Number: 1132935-63-7
  • MF: C26H27N3O5S
  • MW: 493.575
  • Catalog: HCV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pyrvinium pamoate

Pyrvinium pamoate is an FDA-approved antihelmintic drug that inhibits WNT pathway signaling.

  • CAS Number: 3546-41-6
  • MF: C26H28N3.1/2C23H14O6
  • MW: 575.70
  • Catalog: Wnt
  • Density: 1.0104 (rough estimate)
  • Boiling Point: 829.27°C (rough estimate)
  • Melting Point: 210-215° (softens at 190°)
  • Flash Point: N/A

PhD

Thromboxane B2 is a prostaglandin derivative that is released during anaphylaxis. Thromboxane B2 induces arterial contraction and platelet aggregation.

  • CAS Number: 54397-85-2
  • MF: C20H34O6
  • MW: 370.480
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 582.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 199.7±23.6 °C

Lopinavir Metabolite M-1

Lopinavir Metabolite M-1, an active metabolite of Lopinavir, inhibits HIV protease with a Ki of 0.7 pM. Lopinavir Metabolite M-1 has antiviral activities in vitro[1][2].

  • CAS Number: 192725-39-6
  • MF: C37H46N4O6
  • MW: 642.78400
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A