Drug General Information
Drug ID
DXN5DP
Drug Name
1-(4-{4-[3-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidin-1-yl)propoxy]phenyl}but-3-yn-1-yl)-1-hydroxyurea
Synonyms
CHEMBL188021
Indication Discovery agent Investigative [1587926]
Formula
C33H35ClN4O3
Canonical SMILES
NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCC(=C3c4ccc(Cl)cc4CCc5cccnc35)CC2)cc1
InChI
InChI=1S/C33H35ClN4O3/c34-28-11-14-30-27(23-28)10-9-26-6-3-17-36-32(26)31(30)25-15-20-37(21-16-25)18-4-22-41-29-12-7-24(8-13-29)5-1-2-19-38(40)33(35)39/h3,6-8,11-14,17,23,40H,2,4,9-10,15-16,18-22H2,(H2,35,39)
InChIKey
WLCVFIFUKJWBRL-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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