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Ligand

NameCHEMBL93843
Molecular formulaC29H29F3N6O2
IUPAC name(4R)-N-[3-[4-cyano-4-(2-cyano-4-fluorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxamide
Molecular weight550.586
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM50090012
4-(3,4-Difluoro-phenyl)-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid {3-[4-cyano-4-(2-cyano-4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide
Inchi KeyACUBKRQETGSILZ-AREMUKBSSA-N
Inchi IDInChI=1S/C29H29F3N6O2/c1-36-17-22(26(37(2)28(36)40)19-4-7-24(31)25(32)15-19)27(39)35-10-3-11-38-12-8-29(18-34,9-13-38)23-6-5-21(30)14-20(23)16-33/h4-7,14-15,17,26H,3,8-13H2,1-2H3,(H,35,39)/t26-/m1/s1
PubChem CID10626493
ChEMBLCHEMBL93843
IUPHARN/A
BindingDB50090012
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
1935Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
1936Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
1934Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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