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Ligand

NameCHEMBL467153
Molecular formulaC21H20N4O3
IUPAC name[(2R,4Z)-4-methoxyimino-2-(1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(2-methylphenyl)phenyl]methanone
Molecular weight376.416
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50262152
(R)-1-(2''-Methyl-biphenyl-4-carbonyl)-5-[1,2,4]oxadiazol-5-yl-pyrrolidin-3-one O-methyl-oxime
Inchi KeyAHPMMJNOYVXNON-RJDQKLELSA-N
Inchi IDInChI=1S/C21H20N4O3/c1-14-5-3-4-6-18(14)15-7-9-16(10-8-15)21(26)25-12-17(24-27-2)11-19(25)20-22-13-23-28-20/h3-10,13,19H,11-12H2,1-2H3/b24-17-/t19-/m1/s1
PubChem CID44577874
ChEMBLCHEMBL467153
IUPHARN/A
BindingDB50262152
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
5791Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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