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Name | CHEMBL3633894 |
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Molecular formula | C17H17NO2S |
IUPAC name | S-[2-oxo-2-(1-phenylethylamino)ethyl] benzenecarbothioate |
Molecular weight | 299.388 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.6 |
Synonyms | AKOS024291232 S-[2-oxo-2-(1-phenylethylamino)ethyl] benzenecarbothioate CBMicro_026747 STK031593 MCULE-9519417368 [ Show all ] |
Inchi Key | NYTPJIOIBBIUIK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H17NO2S/c1-13(14-8-4-2-5-9-14)18-16(19)12-21-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,19) |
PubChem CID | 2856847 |
ChEMBL | CHEMBL3633894 |
IUPHAR | N/A |
BindingDB | 50131897 |
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 |
---|---|---|---|---|---|
492141 | Probable G-protein coupled receptor 139 | Q6DWJ6 | GPR139 | Homo sapiens (Human) | 353 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218