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Ligand

NameCHEMBL134201
Molecular formulaC27H26FNO4
IUPAC name(4aS,6Z,7aR)-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methylidene]-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight447.506
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.1
SynonymsN/A
Inchi KeyAWAQOPSDMCQZAA-PELWEAFXSA-N
Inchi IDInChI=1S/C27H26FNO4/c28-19-6-3-15(4-7-19)11-18-13-27(32)21-12-17-5-8-20(30)24-22(17)26(27,25(33-24)23(18)31)9-10-29(21)14-16-1-2-16/h3-8,11,16,21,25,30,32H,1-2,9-10,12-14H2/b18-11-/t21?,25-,26?,27+/m0/s1
PubChem CID44354634
ChEMBLCHEMBL134201
IUPHARN/A
BindingDBN/A
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
15844Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
15842Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
15843Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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