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Name | CHEMBL599323 |
---|---|
Molecular formula | C21H27NO4 |
IUPAC name | (1R,5S,6R,14S)-6-[cyclopropylmethyl(methyl)amino]-14-ethyl-5,11-dihydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one |
Molecular weight | 357.45 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.3 |
Synonyms | BDBM50310295 (2R,2aS,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)amino)-2a1-ethyl-2a,7-dihydroxy-2,2a,2a1,3,4,5a-hexahydrophenanthro[4,5-bcd]furan-5(1H)-one hydrochloride CHEMBL1198239 |
Inchi Key | AFWQBADFAUBXEN-MBPVOVBZSA-N |
Inchi ID | InChI=1S/C21H27NO4/c1-3-20-17-13-6-7-14(23)18(17)26-19(20)15(24)8-9-21(20,25)16(10-13)22(2)11-12-4-5-12/h6-7,12,16,19,23,25H,3-5,8-11H2,1-2H3/t16-,19+,20+,21-/m1/s1 |
PubChem CID | 46232169 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50310295 |
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 |
---|---|---|---|---|---|
4565 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
4566 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
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