Drug General Information
Drug ID
DXQU0C
Drug Name
(R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid {3-[4-cyano-4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide
Synonyms
CHEMBL291166
Indication Discovery agent Investigative [1587926]
Formula
C29H31F3N4O2
Canonical SMILES
CN1C(=O)C[C@@H](C(=C1C)C(=O)NCCCN2CCC(CC2)(C#N)c3ccc(F)cc3)c4ccc(F)c(F)c4
InChI
InChI=1S/C29H31F3N4O2/c1-19-27(23(17-26(37)35(19)2)20-4-9-24(31)25(32)16-20)28(38)34-12-3-13-36-14-10-29(18-33,11-15-36)21-5-7-22(30)8-6-21/h4-9,16,23H,3,10-15,17H2,1-2H3,(H,34,38)/t23-/m1/s1
InChIKey
PEDXQUUSXXYPJU-HSZRJFAPSA-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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