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Name | CHEMBL2397017 |
---|---|
Molecular formula | C30H29N3O4 |
IUPAC name | N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]quinoline-2-carboxamide |
Molecular weight | 495.579 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | N/A |
Inchi Key | ABLVJJLALUMAFD-BJXGRRSKSA-N |
Inchi ID | InChI=1S/C30H29N3O4/c34-22-10-8-19-15-24-30(32-28(36)21-9-7-18-3-1-2-4-20(18)31-21)12-11-23(35)27-29(30,25(19)26(22)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,24,27,34H,5-6,11-16H2,(H,32,36)/t24-,27+,29+,30-/m1/s1 |
PubChem CID | 71681077 |
ChEMBL | CHEMBL2397017 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
948 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
947 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
949 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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