Drug General Information
Drug ID
DXG9NY
Drug Name
(R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid {3-[4-(2-cyano-4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide
Synonyms
CHEMBL288772
Indication Discovery agent Investigative [1587926]
Formula
C29H31F3N4O2
Canonical SMILES
CN1C(=O)C[C@@H](C(=C1C)C(=O)NCCCN2CCC(CC2)c3ccc(F)cc3C#N)c4ccc(F)c(F)c4
InChI
InChI=1S/C29H31F3N4O2/c1-18-28(24(16-27(37)35(18)2)20-4-7-25(31)26(32)15-20)29(38)34-10-3-11-36-12-8-19(9-13-36)23-6-5-22(30)14-21(23)17-33/h4-7,14-15,19,24H,3,8-13,16H2,1-2H3,(H,34,38)/t24-/m1/s1
InChIKey
DLMPCEBSXNLTAT-XMMPIXPASA-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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