Drug Information

Drug General Information
Drug ID
DXEM8F
Drug Name
4-(((3-chlorophenyl)(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)methyl)-7,8-difluoroquinolin-2(1H)-one
Synonyms
CHEMBL1945066
Indication Discovery agent Investigative [1587926]
Formula
C22H15ClF2N6O
Canonical SMILES
Cn1ncc2c(ncnc12)N(CC3=CC(=O)Nc4c(F)c(F)ccc34)c5cccc(Cl)c5
InChI
InChI=1S/C22H15ClF2N6O/c1-30-21-16(9-28-30)22(27-11-26-21)31(14-4-2-3-13(23)8-14)10-12-7-18(32)29-20-15(12)5-6-17(24)19(20)25/h2-9,11H,10H2,1H3,(H,29,32)
InChIKey
FVSIJTPSJWTFGY-UHFFFAOYSA-N
Target and Pathway
Target(s) Nitric-oxide synthase, brain Target Info [1587926]
Nitric oxide synthase, inducible Target Info [1587926]
BioCyc Pathway Citrulline-nitric oxide cyclePWY-4983:Citrulline-nitric oxide cycle
KEGG Pathway Arginine and proline metabolism
Metabolic pathways
Calcium signaling pathway
Phagosome
Circadian entrainment
Long-term depression
Salivary secretion
Alzheimer's disease
Amyotrophic lateral sclerosis (ALS)hsa00220:Arginine biosynthesis
HIF-1 signaling pathway
Peroxisome
Salmonella infection
Pertussis
Leishmaniasis
Chagas disease (American trypanosomiasis)
Toxoplasmosis
Amoebiasis
Tuberculosis
Pathways in cancer
Small cell lung cancer
NetPath Pathway EGFR1 Signaling PathwayNetPath_13:IL1 Signaling Pathway
IL2 Signaling Pathway
PANTHER Pathway CCKR signaling map ST
Pathway Interaction Database IL12-mediated signaling events
Alpha9 beta1 integrin signaling events
ATF-2 transcription factor network
IL23-mediated signaling events
Signaling mediated by p38-alpha and p38-beta
HIF-1-alpha transcription factor network
PathWhiz Pathway Arginine and Proline Metabolism
Reactome ROS production in response to bacteria
Nitric oxide stimulates guanylate cyclaseR-HSA-1222556:ROS production in response to bacteria
Nitric oxide stimulates guanylate cyclase
WikiPathways Monoamine Transport
Myometrial Relaxation and Contraction Pathways
Amyotrophic lateral sclerosis (ALS)
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Spinal Cord Injury
Alzheimers Disease
Effects of Nitric Oxide
Serotonin Transporter ActivityWP619:Type II interferon signaling (IFNG)
AGE/RAGE pathway
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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