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Name | SMR000046926 |
---|---|
Molecular formula | C24H30N2O5S |
IUPAC name | N-[(1S)-2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide |
Molecular weight | 458.573 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | MLS000041948 AC1LDE9Z N-[(1S)-2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide CHEMBL1413966 MLS002583829 [ Show all ] |
Inchi Key | AGSUEVZKEZMOLO-APTRMMRNSA-N |
Inchi ID | InChI=1S/C24H30N2O5S/c1-31-20-10-12-21(13-11-20)32(29,30)25-22(18-7-3-2-4-8-18)23(27)26-16-15-24(28)14-6-5-9-19(24)17-26/h2-4,7-8,10-13,19,22,25,28H,5-6,9,14-17H2,1H3/t19-,22-,24-/m0/s1 |
PubChem CID | 665649 |
ChEMBL | CHEMBL1413966 |
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 |
---|---|---|---|---|---|
5178 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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