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Ligand

NameCHEMBL3409110
Molecular formulaC29H32FNO2
IUPAC name(4aS,9aR)-2-[2-(4-fluorophenyl)ethyl]-4a-(4-phenylbutyl)-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridin-6-ol
Molecular weight445.578
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP7.1
SynonymsBDBM50072345
Inchi KeyAAGKZYYLJCIWKQ-VMPREFPWSA-N
Inchi IDInChI=1S/C29H32FNO2/c30-24-11-9-23(10-12-24)15-18-31-19-17-29(16-5-4-8-22-6-2-1-3-7-22)26-20-25(32)13-14-27(26)33-28(29)21-31/h1-3,6-7,9-14,20,28,32H,4-5,8,15-19,21H2/t28-,29-/m0/s1
PubChem CID118731415
ChEMBLCHEMBL3409110
IUPHARN/A
BindingDB50072345
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441673Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
441674Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
441672Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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