Drug Information

Drug General Information
Drug ID
DXU1TO
Drug Name
N1-(3-(1H-imidazol-1-yl)-1,2,4-thiadiazol-5-yl)-N3-(benzo[d][1,3]dioxol-5-ylmethyl)-N1-(4-(dimethylamino)benzyl)propane-1,3-diamine
Synonyms
CHEMBL1912005
Indication Discovery agent Investigative [1587926]
Formula
C25H29N7O2S
Canonical SMILES
CN(C)c1ccc(CN(CCCNCc2ccc3OCOc3c2)c4nc(ns4)n5ccnc5)cc1
InChI
InChI=1S/C25H29N7O2S/c1-30(2)21-7-4-19(5-8-21)16-31(25-28-24(29-35-25)32-13-11-27-17-32)12-3-10-26-15-20-6-9-22-23(14-20)34-18-33-22/h4-9,11,13-14,17,26H,3,10,12,15-16,18H2,1-2H3
InChIKey
SCIJRYLIFPTODE-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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