Drug Information

Drug General Information
Drug ID
DXB4UJ
Drug Name
1-(2-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl)pyrrolidin-1-yl)-2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethanone
Synonyms
CHEMBL1911985
Indication Discovery agent Investigative [1587926]
Formula
C22H24N6O3
Canonical SMILES
Cc1cc(nc(n1)n2ccnc2)C3CCCN3C(=O)CNCc4ccc5OCOc5c4
InChI
InChI=1S/C22H24N6O3/c1-15-9-17(26-22(25-15)27-8-6-23-13-27)18-3-2-7-28(18)21(29)12-24-11-16-4-5-19-20(10-16)31-14-30-19/h4-6,8-10,13,18,24H,2-3,7,11-12,14H2,1H3
InChIKey
NANWRBYQJLRLCC-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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