Drug General Information
Drug ID
DXD2DK
Drug Name
(R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid {3-[4-cyano-4-(2-cyano-phenyl)-piperidin-1-yl]-propyl}-amide
Synonyms
CHEMBL44042
Indication Discovery agent Investigative [1587926]
Formula
C29H29F2N5O2
Canonical SMILES
CC1=C([C@H](CC(=O)N1)c2ccc(F)c(F)c2)C(=O)NCCCN3CCC(CC3)(C#N)c4ccccc4C#N
InChI
InChI=1S/C29H29F2N5O2/c1-19-27(22(16-26(37)35-19)20-7-8-24(30)25(31)15-20)28(38)34-11-4-12-36-13-9-29(18-33,10-14-36)23-6-3-2-5-21(23)17-32/h2-3,5-8,15,22H,4,9-14,16H2,1H3,(H,34,38)(H,35,37)/t22-/m1/s1
InChIKey
ZJHCRGOBWWAXOV-JOCHJYFZSA-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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