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Ligand

NameCHEMBL90421
Molecular formulaC27H31F3N4O2
IUPAC name(6R)-6-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
Molecular weight500.566
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50090017
(R)-4-(3,4-Difluoro-phenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid {3-[4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide
Inchi KeyACXCLVVRXJUJEC-RUZDIDTESA-N
Inchi IDInChI=1S/C27H31F3N4O2/c1-17-24(25(32-27(36)33(17)2)20-6-9-22(29)23(30)16-20)26(35)31-12-3-13-34-14-10-19(11-15-34)18-4-7-21(28)8-5-18/h4-9,16,19,25H,3,10-15H2,1-2H3,(H,31,35)(H,32,36)/t25-/m1/s1
PubChem CID10839105
ChEMBLCHEMBL90421
IUPHARN/A
BindingDB50090017
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2011Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
2009Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
2010Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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