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Name | CHEMBL290616 |
---|---|
Molecular formula | C20H21ClN2O4 |
IUPAC name | N-[(4aS,7aR)-9-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-chloroprop-2-enamide |
Molecular weight | 388.848 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.3 |
Synonyms | BDBM50287333 1N-[10-hydroxy-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]-2-chloroacrylamide |
Inchi Key | PTGZFXLUQBYANI-TVXOJQFASA-N |
Inchi ID | InChI=1S/C20H21ClN2O4/c1-10(21)18(26)22-20-6-5-13(25)17-19(20)7-8-23(2)14(20)9-11-3-4-12(24)16(27-17)15(11)19/h3-4,14,17,24H,1,5-9H2,2H3,(H,22,26)/t14?,17-,19?,20+/m0/s1 |
PubChem CID | 44286895 |
ChEMBL | CHEMBL290616 |
IUPHAR | N/A |
BindingDB | 50287333 |
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 |
---|---|---|---|---|---|
268348 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
268346 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
268347 | Mu-type opioid receptor | P79350 | OPRM1 | Bos taurus (Bovine) | 401 |
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