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Name | CHEMBL523151 |
---|---|
Molecular formula | C29H32Cl2N2O4 |
IUPAC name | N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-2-(3,4-dichlorophenyl)-N-methylacetamide |
Molecular weight | 543.485 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.7 |
Synonyms | BDBM50274176 N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3,4-dichlorophenyl)-Nmethylacetamide SCHEMBL4246050 |
Inchi Key | DSICSIFFXHDWFT-YDYXKFJWSA-N |
Inchi ID | InChI=1S/C29H32Cl2N2O4/c1-32(24(35)13-17-4-6-19(30)20(31)12-17)21-8-9-29(36)23-14-18-5-7-22(34)26-25(18)28(29,27(21)37-26)10-11-33(23)15-16-2-3-16/h4-7,12,16,21,23,27,34,36H,2-3,8-11,13-15H2,1H3/t21-,23-,27+,28+,29-/m1/s1 |
PubChem CID | 12072791 |
ChEMBL | CHEMBL523151 |
IUPHAR | N/A |
BindingDB | 50274176 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
67603 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
67604 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
67605 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
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