Drug General Information
Drug ID
DX5VIV
Drug Name
1-{4-[4-(3-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propoxy)phenyl]but-3-yn-1-yl}-1-hydroxyurea
Synonyms
CHEMBL187264
Indication Discovery agent Investigative [1587926]
Formula
C31H35ClN4O3
Canonical SMILES
NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)[C@H](c3ccccc3)c4ccc(Cl)cc4)cc1
InChI
InChI=1S/C31H35ClN4O3/c32-28-14-12-27(13-15-28)30(26-8-2-1-3-9-26)35-22-20-34(21-23-35)18-6-24-39-29-16-10-25(11-17-29)7-4-5-19-36(38)31(33)37/h1-3,8-17,30,38H,5-6,18-24H2,(H2,33,37)/t30-/m1/s1
InChIKey
LWOMEPYLSGEMDX-SSEXGKCCSA-N
Target and Pathway
Target(s) Arachidonate 5-lipoxygenase Target Info [1587926]
Histamine H1 receptor Target Info [1587926]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Resolvin D biosynthesis
Leukotriene biosynthesis
Lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
Aspirin triggered resolvin E biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Ovarian steroidogenesis
Toxoplasmosishsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
Inflammatory mediator regulation of TRP channels
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Histamine H1 receptor mediated signaling pathway
PathWhiz Pathway Arachidonic Acid Metabolism
Reactome Histamine receptors
G alpha (q) signalling events
WikiPathways Vitamin D Receptor Pathway
Arachidonic acid metabolism
Eicosanoid Synthesis
Selenium Micronutrient NetworkWP58:Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
IL-4 Signaling Pathway
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
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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