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Name | MLS000696725 |
---|---|
Molecular formula | C26H27N3O3 |
IUPAC name | 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione |
Molecular weight | 429.52 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 3.3 |
Synonyms | 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indol-3-yl]ethane-1,2-dione SMR000237131 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(1-(2-oxo-2-(piperidin-1-yl)ethyl)-1H-indol-3-yl)ethane-1,2-dione F2001-0657 ZINC8683825 [ Show all ] |
Inchi Key | ASUMKZBPKUYBOH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H27N3O3/c30-24(27-13-6-1-7-14-27)18-29-17-22(21-10-4-5-11-23(21)29)25(31)26(32)28-15-12-19-8-2-3-9-20(19)16-28/h2-5,8-11,17H,1,6-7,12-16,18H2 |
PubChem CID | 12006196 |
ChEMBL | CHEMBL1438321 |
IUPHAR | N/A |
BindingDB | 96645 |
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 |
---|---|---|---|---|---|
13537 | Trace amine-associated receptor 1 | Q96RJ0 | TAAR1 | Homo sapiens (Human) | 339 |
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