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Name | CHEMBL41366 |
---|---|
Molecular formula | C20H23ClN2O3 |
IUPAC name | N-[(7R,7aR)-9-hydroxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-2-chloroprop-2-enamide |
Molecular weight | 374.865 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.3 |
Synonyms | 1N-[10-hydroxy-4-methyl-(13R,14R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-yl]-2-chloroacrylamide BDBM50287331 |
Inchi Key | VGEFGSWMGRTTKI-SDXGEFGESA-N |
Inchi ID | InChI=1S/C20H23ClN2O3/c1-10(21)19(25)22-13-5-4-12-14-9-11-3-6-15(24)17-16(11)20(12,18(13)26-17)7-8-23(14)2/h3,6,12-14,18,24H,1,4-5,7-9H2,2H3,(H,22,25)/t12?,13-,14?,18+,20?/m1/s1 |
PubChem CID | 44286876 |
ChEMBL | CHEMBL41366 |
IUPHAR | N/A |
BindingDB | 50287331 |
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 |
---|---|---|---|---|---|
354274 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
354272 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
354273 | Mu-type opioid receptor | P79350 | OPRM1 | Bos taurus (Bovine) | 401 |
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