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Ligand

NameCHEMBL364058
Molecular formulaC23H32O8
IUPAC namemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-6a,10b-dimethyl-4,10-dioxo-2-(oxolan-3-yl)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular weight436.501
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.2
SynonymsBDBM50159168
(2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,10b-dimethyl-4,10-dioxo-2-((R)-tetrahydrofuran-3-yl)-dodecahydro-1H-benzo[f]isochromene-7-carboxylate
Inchi KeyBZHHZFMVJDKCIW-OMLLRXPVSA-N
Inchi IDInChI=1S/C23H32O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h13-17,19H,5-11H2,1-4H3/t13?,14-,15-,16-,17-,19-,22-,23-/m0/s1
PubChem CID11351067
ChEMBLCHEMBL364058
IUPHARN/A
BindingDB50159168
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36451Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
36450Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
36452Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
36449Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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