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Ligand

NameCHEMBL370680
Molecular formulaC22H26O8
IUPAC namemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-formyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular weight418.442
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM50159172
(3S,4aR,4bS,6S,8R,8aR,10aR)-6-Formyloxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester
Inchi KeyDDNVUDRWHBFBKO-VOVNARLJSA-N
Inchi IDInChI=1S/C22H26O8/c1-21-6-4-13-20(26)30-16(12-5-7-28-10-12)9-22(13,2)18(21)17(24)15(29-11-23)8-14(21)19(25)27-3/h5,7,10-11,13-16,18H,4,6,8-9H2,1-3H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
PubChem CID11486901
ChEMBLCHEMBL370680
IUPHARN/A
BindingDB50159172
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
57241Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
57242Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
57244Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
57243Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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