Drug General Information
Drug ID
DXHF0T
Drug Name
1-{4-[4-(3-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}propoxy)phenyl]but-3-yn-1-yl}-1-hydroxyurea
Synonyms
CHEMBL185825
Indication Discovery agent Investigative [1587926]
Formula
C31H34F2N4O3
Canonical SMILES
NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)C(c3ccc(F)cc3)c4ccc(F)cc4)cc1
InChI
InChI=1S/C31H34F2N4O3/c32-27-11-7-25(8-12-27)30(26-9-13-28(33)14-10-26)36-21-19-35(20-22-36)17-3-23-40-29-15-5-24(6-16-29)4-1-2-18-37(39)31(34)38/h5-16,30,39H,2-3,17-23H2,(H2,34,38)
InChIKey
RKEGNNLTPLWIIC-UHFFFAOYSA-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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