Drug General Information
Drug ID
DXQN3L
Drug Name
4-[(4-Chlorophenyl)methyl]-2-(2-{[4-(4-{[3-(hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)butyl]amino}ethyl)-1(2H)-phthalazinone
Synonyms
CHEMBL1767162
Indication Discovery agent Investigative [1587926]
Formula
C36H45ClN4O2
Canonical SMILES
Clc1ccc(CC2=NN(CCNCCCCc3ccc(OCCCN4CCCCCC4)cc3)C(=O)c5ccccc25)cc1
InChI
InChI=1S/C36H45ClN4O2/c37-31-17-13-30(14-18-31)28-35-33-11-3-4-12-34(33)36(42)41(39-35)26-22-38-21-6-5-10-29-15-19-32(20-16-29)43-27-9-25-40-23-7-1-2-8-24-40/h3-4,11-20,38H,1-2,5-10,21-28H2
InChIKey
UUYDLXMNWLLYQV-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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