Drug General Information
Drug ID
DX3VDO
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-(2,4-difluoro-phenyl)-piperidin-1-yl]-propyl}-amide
Synonyms
CHEMBL295001
Indication Discovery agent Investigative [1587926]
Formula
C28H28F4N4O2
Canonical SMILES
CC1=C([C@H](CC(=O)N1)c2ccc(F)c(F)c2)C(=O)NCCCN3CCC(CC3)(C#N)c4ccc(F)cc4F
InChI
InChI=1S/C28H28F4N4O2/c1-17-26(20(15-25(37)35-17)18-3-6-22(30)24(32)13-18)27(38)34-9-2-10-36-11-7-28(16-33,8-12-36)21-5-4-19(29)14-23(21)31/h3-6,13-14,20H,2,7-12,15H2,1H3,(H,34,38)(H,35,37)/t20-/m1/s1
InChIKey
RLMGUPUESXPDFJ-HXUWFJFHSA-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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