Drug General Information
Drug ID
DXNP9A
Drug Name
N1-(3-(1H-imidazol-1-yl)-1,2,4-thiadiazol-5-yl)-N3-(benzo[d][1,3]dioxol-5-ylmethyl)-N1-(thiophen-2-ylmethyl)propane-1,3-diamine
Synonyms
CHEMBL1912000
Indication Discovery agent Investigative [1587926]
Formula
C21H22N6O2S2
Canonical SMILES
C(CNCc1ccc2OCOc2c1)CN(Cc3cccs3)c4nc(ns4)n5ccnc5
InChI
InChI=1S/C21H22N6O2S2/c1-3-17(30-10-1)13-26(21-24-20(25-31-21)27-9-7-23-14-27)8-2-6-22-12-16-4-5-18-19(11-16)29-15-28-18/h1,3-5,7,9-11,14,22H,2,6,8,12-13,15H2
InChIKey
JAIWNMLCXXFOHQ-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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