Drug General Information
Drug ID
DXA2LD
Drug Name
1-{4-[4-(4-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}butoxy)phenyl]but-3-yn-1-yl}-1-hydroxyurea
Synonyms
CHEMBL186125
Indication Discovery agent Investigative [1587926]
Formula
C32H37ClN4O3
Canonical SMILES
NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)[C@H](c3ccccc3)c4ccc(Cl)cc4)cc1
InChI
InChI=1S/C32H37ClN4O3/c33-29-15-13-28(14-16-29)31(27-9-2-1-3-10-27)36-23-21-35(22-24-36)19-6-7-25-40-30-17-11-26(12-18-30)8-4-5-20-37(39)32(34)38/h1-3,9-18,31,39H,5-7,19-25H2,(H2,34,38)/t31-/m1/s1
InChIKey
MBQMCWRJVSGZMF-WJOKGBTCSA-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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