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Ligand

NameCHEMBL1083731
Molecular formulaC26H33NO2
IUPAC name[4-(2,6-dimethylphenyl)-3-methoxyphenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
Molecular weight391.555
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP6.2
SynonymsBDBM50319782
(2-methoxy-2'',6''-dimethylbiphenyl-4-yl)((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
Inchi KeyCIOLMATWVFUFEF-FQRUVTKNSA-N
Inchi IDInChI=1S/C26H33NO2/c1-17-8-7-9-18(2)23(17)21-11-10-19(12-22(21)29-6)24(28)27-16-26(5)14-20(27)13-25(3,4)15-26/h7-12,20H,13-16H2,1-6H3/t20-,26-/m1/s1
PubChem CID46890530
ChEMBLCHEMBL1083731
IUPHARN/A
BindingDB50319782
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42859Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
42860Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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