Drug General Information
Drug ID
DXE5MW
Drug Name
4-[(4-Chlorophenyl)methyl]-2-{2-[[4-(4-{[3-(hexahydro-1Hazepin-1-yl)propyl]oxy}phenyl)butyl](methyl)amino]ethyl}-1(2H)-phthalazinone
Synonyms
CHEMBL1767163
Indication Discovery agent Investigative [1587926]
Formula
C37H47ClN4O2
Canonical SMILES
CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCN3N=C(Cc4ccc(Cl)cc4)c5ccccc5C3=O
InChI
InChI=1S/C37H47ClN4O2/c1-40(22-9-6-11-30-16-20-33(21-17-30)44-28-10-25-41-23-7-2-3-8-24-41)26-27-42-37(43)35-13-5-4-12-34(35)36(39-42)29-31-14-18-32(38)19-15-31/h4-5,12-21H,2-3,6-11,22-29H2,1H3
InChIKey
QQERDUJEEYWVED-UHFFFAOYSA-N
Target and Pathway
Target(s) Alpha-1 adrenergic receptor Target Info [1587926]
Histamine H1 receptor Target Info [1587926]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Inflammatory mediator regulation of TRP channels
PANTHER Pathway Histamine H1 receptor mediated signaling pathway
Reactome Histamine receptors
G alpha (q) signalling events
WikiPathways 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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