Drug General Information
Drug ID
DX4MTO
Drug Name
4-[(4-Chlorophenyl)methyl]-2-{1-[(4-{[3-(hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)methyl]hexahydro-1H-azepin-4-yl}-1(2H)-phthalazinone
Synonyms
CHEMBL1767159
Indication Discovery agent Investigative [1587926]
Formula
C37H45ClN4O2
Canonical SMILES
Clc1ccc(CC2=NN(C3CCCN(Cc4ccc(OCCCN5CCCCCC5)cc4)CC3)C(=O)c6ccccc26)cc1
InChI
InChI=1S/C37H45ClN4O2/c38-31-16-12-29(13-17-31)27-36-34-10-3-4-11-35(34)37(43)42(39-36)32-9-7-23-41(25-20-32)28-30-14-18-33(19-15-30)44-26-8-24-40-21-5-1-2-6-22-40/h3-4,10-19,32H,1-2,5-9,20-28H2
InChIKey
QYAXGGUCDQSHIT-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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