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Name | CHEMBL3613168 |
---|---|
Molecular formula | C42H54N2O6S |
IUPAC name | N-[(1R,9R,11S,14S,19S)-15-(cyclopropylmethyl)-4-hydroxy-15-azapentacyclo[9.6.2.01,9.02,7.09,14]nonadeca-2(7),3,5,12-tetraen-19-yl]-N-methyl-3-phenylpropanamide;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid |
Molecular weight | 714.962 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | None |
Synonyms | N/A |
Inchi Key | DXZGRYLXICSYEN-WWOYOULDSA-N |
Inchi ID | InChI=1S/C32H38N2O2.C10H16O4S/c1-33(30(36)14-9-22-5-3-2-4-6-22)28-20-31-15-16-34(21-23-7-8-23)29-13-11-25(28)19-32(29,31)18-24-10-12-26(35)17-27(24)31;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-6,10-13,17,23,25,28-29,35H,7-9,14-16,18-21H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t25-,28+,29+,31-,32-;/m1./s1 |
PubChem CID | 122188795 |
ChEMBL | CHEMBL3613168 |
IUPHAR | N/A |
BindingDB | 50118179 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
471786 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
471785 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
471784 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
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