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Ligand

NameCHEMBL342126
Molecular formulaC34H34F4N4O4
IUPAC namemethyl 3-[3-[4,4-bis(4-fluorophenyl)piperidin-1-yl]propylcarbamoyl]-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate
Molecular weight638.664
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP6.1
Synonyms1-[[3-[4,4-Bis(4-fluorophenyl)piperidino]propyl]carbamoyl]-2-oxo-4-methyl-6-(3,4-difluorophenyl)-1,2,3,6-tetrahydropyrimidine-5-carboxylic acid methyl ester
BDBM50082835
3-{3-[4,4-Bis-(4-fluoro-phenyl)-piperidin-1-yl]-propylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
Inchi KeyABJKTLXATIQLEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H34F4N4O4/c1-21-29(31(43)46-2)30(22-4-13-27(37)28(38)20-22)42(33(45)40-21)32(44)39-16-3-17-41-18-14-34(15-19-41,23-5-9-25(35)10-6-23)24-7-11-26(36)12-8-24/h4-13,20,30H,3,14-19H2,1-2H3,(H,39,44)(H,40,45)
PubChem CID10508330
ChEMBLCHEMBL342126
IUPHARN/A
BindingDB50082835
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
909Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
907Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
908Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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