Drug General Information
Drug ID
DXO2TN
Drug Name
4-[(4-Chlorophenyl)methyl]-2-{1-[4-(4-{[3-(hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)butyl]hexahydro-1H-azepin-4-yl}-1(2H)-phthalazinone
Synonyms
CHEMBL1767161
Indication Discovery agent Investigative [1587926]
Formula
C40H51ClN4O2
Canonical SMILES
Clc1ccc(CC2=NN(C3CCCN(CCCCc4ccc(OCCCN5CCCCCC5)cc4)CC3)C(=O)c6ccccc26)cc1
InChI
InChI=1S/C40H51ClN4O2/c41-34-19-15-33(16-20-34)31-39-37-13-3-4-14-38(37)40(46)45(42-39)35-12-9-27-44(29-23-35)26-8-5-11-32-17-21-36(22-18-32)47-30-10-28-43-24-6-1-2-7-25-43/h3-4,13-22,35H,1-2,5-12,23-31H2
InChIKey
QLOCEFPHCAKSLE-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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