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Name | CHEMBL279968 |
---|---|
Molecular formula | C19H25NO2 |
IUPAC name | (1S,13R)-10-(cyclopropylmethyl)-1-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one |
Molecular weight | 299.414 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one EKC(-) (6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one (ethylketocyclazocine) ETHYLKETOCYCLAZOCINE [ Show all ] |
Inchi Key | SEJUQQOPVAUETF-BKBNBNODSA-N |
Inchi ID | InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1 |
PubChem CID | 44273397 |
ChEMBL | CHEMBL279968 |
IUPHAR | N/A |
BindingDB | 50000091 |
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 |
---|---|---|---|---|---|
312167 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
461915 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
312164 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
312165 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
312166 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
312168 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
312169 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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