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Ligand

NameCHEMBL287791
Molecular formulaC28H32F3N3O2
IUPAC name(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
Molecular weight499.578
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
SynonymsSCHEMBL7932823
BDBM50090331
(4R)-N-[3-[4-(4-Fluorophenyl)piperidino]propyl]-1,2-dimethyl-4beta-(3,4-difluorophenyl)-1,4,5,6-tetrahydro-6-oxo-pyridine-3-carboxamide
(R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid {3-[4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide
Inchi KeyAADBHVDMLFAXQC-HSZRJFAPSA-N
Inchi IDInChI=1S/C28H32F3N3O2/c1-18-27(23(17-26(35)33(18)2)21-6-9-24(30)25(31)16-21)28(36)32-12-3-13-34-14-10-20(11-15-34)19-4-7-22(29)8-5-19/h4-9,16,20,23H,3,10-15,17H2,1-2H3,(H,32,36)/t23-/m1/s1
PubChem CID44289100
ChEMBLCHEMBL287791
IUPHARN/A
BindingDB50090331
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
78Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
77Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
79Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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