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

Monensin B

Monensin B is a polyketide produced by Streptomyces cinnamonensis. Fermentations of Streptomyces cinnamonensis produce a mixture of Monensin A and Monensin B in a ratio dependent upon the relative concentrations of ethylmalonyl-CoA and methylmalonyl-CoA[1].

  • CAS Number: 30485-16-6
  • MF: C35H60O11
  • MW: 656.84400
  • Catalog: Others
  • Density: 1.22g/cm3
  • Boiling Point: 760.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 229.2ºC

Junipediol A

Junipediol A is a natural product, that can be isolated from the aerial parts of Juniperus phcenicea[1].

  • CAS Number: 86548-91-6
  • MF: C10H14O4
  • MW: 198.22
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 406.7±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 199.8±28.7 °C

Nantenine

Nantenine is a serotonergic receptor antagonist. Nantenine selectively inhibits the contractile response of tissues to serotonin. Nantenine can be isolated from Nandina domestica[1].

  • CAS Number: 2565-01-7
  • MF: C20H21NO4
  • MW: 339.39
  • Catalog: 5-HT Receptor
  • Density: 1.266g/cm3
  • Boiling Point: 487.5ºC at 760 mmHg
  • Melting Point: 113-114 °C
  • Flash Point: 145.2ºC

Fraxamoside

Fraxamoside is a competitive xanthine oxidase inhibitor with an IC50 of 16.1 μM and a Ki of 0.9 μM[1].

  • CAS Number: 326594-34-7
  • MF: C25H30O13
  • MW: 538.50
  • Catalog: Xanthine Oxidase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 825.8±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 277.9±27.8 °C

Ms-PEG6-THP

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

  • CAS Number: 42607-89-6
  • MF: C18H36O10S
  • MW: 444.54
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,4-PyriMidinediaMine with linker

2,4-Pyrimidinediamine with linker is a patent compound in WO2013055780A1, Page 71; multikinase inhibitor and has a -NH2 terminal linker for further synthesis.Simultaneous detection of multiple protein kinases in tissue samples in the diagnosis and treatment of diseaseBy Johnson, Gary; Duncan, James S.; Whittle, Martin C.; Jian, Jin From PCT Int. Appl. (2013), WO 2013055780 A1 20130418.

  • CAS Number: 1430089-64-7
  • MF: C19H24N8
  • MW: 364.448
  • Catalog: VEGFR
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 693.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 373.2±34.3 °C

Sitagliptin-d4 phosphate

Sitagliptin-d4 (MK-0431-d4) phosphate is the deuterium labeled Sitagliptin phosphate. Sitagliptin phosphate (MK-0431 phosphate) is a potent inhibitor of DPP4 with an IC50 of 19 nM in Caco-2 cell extracts[1][2].

  • CAS Number: 1432063-88-1
  • MF: C16H14D4F6N5O5P
  • MW: 509.33
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5,7-Dihydroxy-4-methylcoumarin

5,7-Dihydroxy-4-methylcoumarin is a coumarin derivative from Mexican tarragon[1].

  • CAS Number: 2107-76-8
  • MF: C10H8O4
  • MW: 192.168
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 472.1±14.0 °C at 760 mmHg
  • Melting Point: 296-299 °C(lit.)
  • Flash Point: 197.9±13.6 °C

S-benzylglutathione

S-Benzylglutathione is a competitive glutathionase inhibitor. S-Benzylglutathione is converted to the corresponding cysteine derivatives by rat kidney microsomes. S-Benzylglutathione can be used for the research of metabolic breakdown of glutathione by the glutathionase system[1].

  • CAS Number: 6803-17-4
  • MF: C17H23N3O6S
  • MW: 397.44600
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-[[2-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-2-oxoethyl]amino]benzamide

3-[[2-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-2-oxoethyl]amino]benzamide is a 2-(3,4-dimethoxyphenyl)ethylamine derivative for oral administration at an exploratory stage of new drug development.

  • CAS Number: 76001-09-7
  • MF: C19H23N3O4
  • MW: 357.4
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Masticadielic acid

Masticadienolic acid is an antitumor agent via increasing the production of nitric oxide (NO). Masticadienolic acid also increases the release of NO in resting macrophages[1].

  • CAS Number: 472-30-0
  • MF: C30H48O3
  • MW: 456.70
  • Catalog: Cancer
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 567.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 310.9±26.6 °C

S-acetyl-PEG3-Boc

S-acetyl-PEG3-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1818294-27-7
  • MF: C15H28O6S
  • MW: 336.444
  • Catalog: PROTAC Linker
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 413.9±35.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 188.4±14.0 °C

p-SCN-Bn-DOTA

p-SCN-Bn-DOTA is a bifunctional chelating agent. p-SCN-Bn-DOTA can simultaneously chelate radionuclides and link monoclonal antibody for radioimmunotherapy of tumor[1][2].

  • CAS Number: 127985-74-4
  • MF: C24H33N5O8S
  • MW: 551.61
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antiviral agent 34

Antiviral agent 34 is a potent and orally active antiviral agent against influenza A and B subtypes with an EC50 value of 0.8 nM for H1N1 proliferation. Antiviral agent 34 derivatives inhibited influenza virus proliferation by targeting influenza virus RNA-dependent RNA polymerase. Antiviral agent 34 can be used for influenza virus research[1].

  • CAS Number: 945152-88-5
  • MF: C29H33N3O2S
  • MW: 487.66
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5'-DMT-N6-Me-2'-dA

5'-O-DMT-N6-Me-2'-dA is a nucleoside with protective and modification effects.

  • CAS Number: 98056-69-0
  • MF: C32H33N5O5
  • MW: 567.63500
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,2'-((Oxybis(ethane-2,1-diyl))bis(oxy))diethanol

PROTAC Linker 18 is a PROTAC linker, which refers to the alkyl/ether composition. PROTAC Linker 18 can be used in the synthesis of a series of PROTACs. PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins[1].

  • CAS Number: 112-60-7
  • MF: C8H18O5
  • MW: 194.225
  • Catalog: PROTAC Linker
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 328.0±0.0 °C at 760 mmHg
  • Melting Point: -5.6 °C(lit.)
  • Flash Point: 176.7±0.0 °C

Protease K

Protease K is a nonspecific serine protease that is useful for general digestion of proteins. Protease K is active in the presence of SDS or urea and over a wide range of pH (4-12), salt concentrations, and temperatures[1].

  • CAS Number: 39450-01-6
  • MF: C22H25N5O2
  • MW: 391.466
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gymnoside IX

Gymnoside IX (compound 2) can be isolated from the methanolic extract from the tubers of Gymnadenia conopsea[1].

  • CAS Number: 898827-00-4
  • MF: C51H64O24
  • MW: 1061.04
  • Catalog: Others
  • Density: 1.50±0.1 g/cm3(Predicted)
  • Boiling Point: 1176.4±65.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

SRPKIN-1

SRPK-IN-1 is a covalent and irreversible SRPK1/2 inhibitor with IC50s of 35.6 and 98 nM, respectively. Anti-angiogenesis effect[1].

  • CAS Number: 2089226-94-6
  • MF: C27H21FN2O3S
  • MW: 472.53
  • Catalog: SRPK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AZD3293(Lanabecestat)

Lanabecestat (AZD3293) is a potent, highly permeable, orally active and blood-brain barrier penetrating BACE1 inhibitor with a Ki of 0.4 nM.

  • CAS Number: 1383982-64-6
  • MF: C26H28N4O
  • MW: 412.527
  • Catalog: Beta-secretase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 621.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 329.9±34.3 °C

SCH 50911

SCH 50911, (+)-(S)-5,5-dimethylmorpholinyl-2-acetic acid, a selective, orally-active and competitive γ-Aminobutyric acid B GABA(B) receptor antagonist, binds to GABA(B) receptor with IC50 of 1.1 μM. SCH 50911 antagonizes GABA(B) autoreceptors, increasing the electrically-stimulated 3H overflow with an IC50 of 3 μM[1].

  • CAS Number: 733717-87-8
  • MF: C8H15NO3
  • MW: 173.21000
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Desethyl amodiaquine

N-Desethyl amodiaquine is the major biologically active metabolite of Amodiaquine. N-Desethyl amodiaquine is an antiparasitic agent. IC50 values for strains V1/S and 3D7 are 97 nM and 25 nM, respectively[1].

  • CAS Number: 79352-78-6
  • MF: C18H18ClN3O
  • MW: 327.81
  • Catalog: Parasite
  • Density: 1.304g/cm3
  • Boiling Point: 477.8ºC at 760 mmHg
  • Melting Point: 168-174ºC
  • Flash Point: 242.7ºC

Prepro VIP (111-122), human

Prepro VIP (111-122), human is a prepro-vasoactive intestinal polypeptide (VIP)–derived peptide, corresponding to residues 111-122. VIP is present in the peripheral and the central nervous systems where it functions as a nonadrenergic, noncholinergic neurotransmitter or neuromodulator[1][2].

  • CAS Number: 123025-94-5
  • MF: C53H87N13O21
  • MW: 1242.33
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 1700.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 982.4±34.3 °C

NF 110

NF110 is a P2X3 receptor antagonist (Ki = 36 nM) and inactive toward P2Y receptors stably expressed (IC50s > 10 M). NF110 blocks alphabeta-methylene-ATP-induced currents (IC50 = 527 nM) in rat dorsal root ganglia neurons[1].

  • CAS Number: 111150-22-2
  • MF: C41H28N6Na4O17S4
  • MW: 1096.91000
  • Catalog: P2X Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AJ2-30

AJ2-30 is a SLCl5A4 inhibitor. AJ2-30 inhibits TLR9-mediated B cell activation. AJ2-30 block endogenous NOD signaling in human and mouse macrophages. AJ2-30 can be used for research of inflammation[1].

  • CAS Number: 2700322-79-6
  • MF: C23H22N4
  • MW: 354.45
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Egfr-IN-7(TQB3804 )

EGFR-IN-7 (compound 34) is a selective and potent EGFR kinase inhibitor extracted from patent WO2019015655A1, has IC50s of 7.92 nM and 0.218 nM for EGFR (WT) and EGFR (mutant C797S/T790M/L858R) respectively, and shows anti-tumor activity[1].

  • CAS Number: 2267329-76-8
  • MF: C32H41BrN9O2P
  • MW: 694.60
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GS-9256

GS-9256 is a selective HCV NS3 protease inhibitor. GS-9256 has good pharmacokinetic properties and antiviral activity[1].

  • CAS Number: 1001094-46-7
  • MF: C46H56ClF2N6O8PS
  • MW: 957.46100
  • Catalog: HCV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6-trans-Leukotriene B4

6-trans-leukotriene B4 is a neutrophil chemotaxin in the guinea pig dermis[1].

  • CAS Number: 71652-82-9
  • MF: C20H32O4
  • MW: 336.466
  • Catalog: Inflammation/Immunology
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 536.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 292.3±26.6 °C

macrocarpal C

Macrocarpal C can be isolated from the 95 % ethanol extract of fresh leaves of E. globulus. Macrocarpal C inhibits the growth of T. mentagrophytes via an increase in the permeability of the fungal membrane. Macrocarpal C increases the production of intracellular ROS and? induces apoptosis as a consequence of DNA fragmentation[1].

  • CAS Number: 142628-53-3
  • MF: C28H38O5
  • MW: 454.60
  • Catalog: Fungal
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 503.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 272.6±26.6 °C

Moguisteine

Moguisteine(BBR-2173) is a novel peripheral non-narcotic antitussive drug.Target: OthersMoguisteine is a novel peripheral nonnarcotic antitussive agent that has proved to be as active as codeine in several experimental models of induced cough in guinea-pigs and dogs. It acts neither through the opiate receptors nor on the cough centre, and its action is possibly mediated by the interaction with rapidly adapting irritant receptors along the tracheobronchial tree. In controlled clinical trials, moguisteine has been shown to be safe and to effectively reduce cough associated with such respiratory disorders as acute upper respiratory tract infection, chronic bronchitis, pulmonary fibrosis and malignancies [1, 2].

  • CAS Number: 119637-67-1
  • MF: C16H21NO5S
  • MW: 339.407
  • Catalog: Neurological Disease
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 506.8±50.0 °C at 760 mmHg
  • Melting Point: 72-76ºC
  • Flash Point: 260.3±30.1 °C