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Name | CHEMBL337272 |
---|---|
Molecular formula | C30H39NO4 |
IUPAC name | (4S,4aR,10aS)-5,6-dimethoxy-4-methyl-10-(methylamino)-10a-(3-phenylpropoxy)-4a-propyl-9,10-dihydro-4H-phenanthren-3-one |
Molecular weight | 477.645 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.5 |
Synonyms | BDBM50133223 3,4-dimethoxy-14,17-dimethyl-10-(3-phenylpropoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one |
Inchi Key | FMSQTVFOKMCRNQ-ZMXNWCQNSA-N |
Inchi ID | InChI=1S/C30H39NO4/c1-6-17-29-21(2)24(32)16-18-30(29,35-19-10-13-22-11-8-7-9-12-22)26(31-3)20-23-14-15-25(33-4)28(34-5)27(23)29/h7-9,11-12,14-16,18,21,26,31H,6,10,13,17,19-20H2,1-5H3/t21-,26?,29-,30-/m1/s1 |
PubChem CID | 44354972 |
ChEMBL | CHEMBL337272 |
IUPHAR | N/A |
BindingDB | 50133223 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
82235 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
82237 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
82236 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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