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Ligand

NameCHEMBL92774
Molecular formulaC24H29NO2
IUPAC name(9R,10R)-17-(2-phenoxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-ol
Molecular weight363.501
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50105478
MCL-127
17-(2-phenoxyethyl)-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-ol
Inchi KeyANPFDZVJMUWEGU-XAGPSQNTSA-N
Inchi IDInChI=1S/C24H29NO2/c26-19-9-10-21-18(16-19)17-23-22-8-4-5-11-24(21,22)12-13-25(23)14-15-27-20-6-2-1-3-7-20/h1-3,6-7,9-10,16,22-23,26H,4-5,8,11-15,17H2/t22-,23+,24?/m0/s1
PubChem CID44325216
ChEMBLCHEMBL92774
IUPHARN/A
BindingDB50105478
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9758Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
9757Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
9756Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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