Drug General Information
Drug ID
DXE7XN
Drug Name
2-({(2R)-1-[4-(4-{[3-(Hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)butyl]-2-pyrrolidinyl}methyl)-4-{[4-(methyloxy)phenyl]methyl}-1(2H)-phthalazinone
Synonyms
CHEMBL1767165
Indication Discovery agent Investigative [1587926]
Formula
C40H52N4O3
Canonical SMILES
COc1ccc(CC2=NN(C[C@H]3CCCN3CCCCc4ccc(OCCCN5CCCCCC5)cc4)C(=O)c6ccccc26)cc1
InChI
InChI=1S/C40H52N4O3/c1-46-35-20-18-33(19-21-35)30-39-37-14-4-5-15-38(37)40(45)44(41-39)31-34-13-10-28-43(34)27-9-6-12-32-16-22-36(23-17-32)47-29-11-26-42-24-7-2-3-8-25-42/h4-5,14-23,34H,2-3,6-13,24-31H2,1H3/t34-/m1/s1
InChIKey
AWKFJGDSZGEFRY-UUWRZZSWSA-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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