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Name | Etorphine |
---|---|
Molecular formula | C25H33NO4 |
IUPAC name | (1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol |
Molecular weight | 411.542 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | Etorphine [INN:BAN] Tetrahydro-7-alpha-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine 14521-96-1 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3-hydroxy-6-methoxy-alpha,17-dimethyl-a-propyl-, [5alpha,7alpha(R)]- BDBM50123599 [ Show all ] |
Inchi Key | CAHCBJPUTCKATP-FAWZKKEFSA-N |
Inchi ID | InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1 |
PubChem CID | 644209 |
ChEMBL | CHEMBL140050 |
IUPHAR | N/A |
BindingDB | 50123599 |
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 |
---|---|---|---|---|---|
37158 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
37161 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
37165 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
37159 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
37162 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
37164 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
37160 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
37163 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
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