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Ligand

NameCHEMBL1084326
Molecular formulaC30H33NO2
IUPAC name[3-methoxy-4-(3-phenylphenyl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
Molecular weight439.599
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP7.1
SynonymsBDBM50319789
(2''''-Methoxy-[1,1''3'',1'''']terphenyl-4''''-yl)-((1S,5R)-1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-yl)-methanone
Inchi KeyCTBZDBSILXBDGE-FYBSXPHGSA-N
Inchi IDInChI=1S/C30H33NO2/c1-29(2)17-25-18-30(3,19-29)20-31(25)28(32)24-13-14-26(27(16-24)33-4)23-12-8-11-22(15-23)21-9-6-5-7-10-21/h5-16,25H,17-20H2,1-4H3/t25-,30-/m1/s1
PubChem CID46890613
ChEMBLCHEMBL1084326
IUPHARN/A
BindingDB50319789
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
49973Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
49972Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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