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Name | CHEMBL205281 |
---|---|
Molecular formula | C27H25ClN4O |
IUPAC name | (2S)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one |
Molecular weight | 456.974 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 4.3 |
Synonyms | BDBM50182941 (S)-2-amino-3-(4-chlorophenyl)-1-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one |
Inchi Key | AXLGUKYVIDOSAC-ZCYQVOJMSA-N |
Inchi ID | InChI=1S/C27H25ClN4O/c28-22-12-10-18(11-13-22)14-23(29)27(33)32-17-21-9-5-4-8-20(21)15-25(32)26-30-16-24(31-26)19-6-2-1-3-7-19/h1-13,16,23,25H,14-15,17,29H2,(H,30,31)/t23-,25-/m0/s1 |
PubChem CID | 10095614 |
ChEMBL | CHEMBL205281 |
IUPHAR | N/A |
BindingDB | 50182941 |
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 |
---|---|---|---|---|---|
16819 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
16820 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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