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Name | CHEMBL430950 |
---|---|
Molecular formula | C22H25N3O5 |
IUPAC name | (4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxyspiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-imidazolidine]-2',4'-dione |
Molecular weight | 411.458 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | -1.2 |
Synonyms | BDBM50049561 Naltrexone derivative |
Inchi Key | AXFDDKKRVFMVHY-OFAZKWMESA-N |
Inchi ID | InChI=1S/C22H25N3O5/c26-13-4-3-12-9-14-22(29)6-5-21(18(27)23-19(28)24-21)17-20(22,15(12)16(13)30-17)7-8-25(14)10-11-1-2-11/h3-4,11,14,17,26,29H,1-2,5-10H2,(H2,23,24,27,28)/t14-,17-,20+,21+,22-/m1/s1 |
PubChem CID | 44297167 |
ChEMBL | CHEMBL430950 |
IUPHAR | N/A |
BindingDB | 50049561 |
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 |
---|---|---|---|---|---|
16645 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
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