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Ligand

NameCHEMBL415223
Molecular formulaC37H44N2O2
IUPAC nameN-[(1S,4R,5R,7S)-5-(3-hydroxyphenyl)-4-methyl-2-[(E)-3-(2-methylphenyl)prop-2-enyl]-2-azabicyclo[3.3.1]nonan-7-yl]-1-phenylcyclopentane-1-carboxamide
Molecular weight548.771
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP8.1
SynonymsBDBM50194224
(+)-N-{(1S,4R,5R,7S)-5-(3-hydroxyphenyl)-4-methyl-2-[3-(2-methylphenyl)prop-2-en-1-yl]-2-azabicyclo[3.3.1]non-7-yl}-1-phenylcyclopentanecarboxamide
Inchi KeyADQGIQSGEOKLRL-RAGWYKPHSA-N
Inchi IDInChI=1S/C37H44N2O2/c1-27-12-6-7-13-29(27)14-11-21-39-26-28(2)37(31-17-10-18-34(40)22-31)24-32(23-33(39)25-37)38-35(41)36(19-8-9-20-36)30-15-4-3-5-16-30/h3-7,10-18,22,28,32-33,40H,8-9,19-21,23-26H2,1-2H3,(H,38,41)/b14-11+/t28-,32+,33+,37+/m0/s1
PubChem CID16082913
ChEMBLCHEMBL415223
IUPHARN/A
BindingDB50194224
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
2966Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
2968Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
2967Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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