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Name | CHEMBL106876 |
---|---|
Molecular formula | C27H27N3O6 |
IUPAC name | (E)-N-[(4aS,7aR)-9-methoxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide |
Molecular weight | 489.528 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | 1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide BDBM50033654 |
Inchi Key | VSIGMWSIMODNPX-WXYYCSAXSA-N |
Inchi ID | InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5+/t21?,25-,26?,27+/m0/s1 |
PubChem CID | 44337269 |
ChEMBL | CHEMBL106876 |
IUPHAR | N/A |
BindingDB | 50033654 |
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 |
---|---|---|---|---|---|
363059 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
363058 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
363057 | Mu-type opioid receptor | P79350 | OPRM1 | Bos taurus (Bovine) | 401 |
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