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Name | CHEMBL656 |
---|---|
Molecular formula | C18H21NO4 |
IUPAC name | (4R,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one |
Molecular weight | 315.369 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 1.2 |
Synonyms | SCHEMBL1994014 BDBM50170965 17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one |
Inchi Key | BRUQQQPBMZOVGD-FPZPCWEFSA-N |
Inchi ID | InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18?/m1/s1 |
PubChem CID | 9904960 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50170965 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
31358 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
31356 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
31357 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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