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Name | CHEMBL273921 |
---|---|
Molecular formula | C24H27FN4O2 |
IUPAC name | 2-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one |
Molecular weight | 422.504 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | 2-[2-[4-(5-fluoro-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,3,4,5-tetrahydro-1h-2-benzazepin-1-one BDBM50125260 2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-ethyl}-2,3,4,5-tetrahydro-benzo[c]azepin-1-one 2-[2-[4-(2-Oxo-5-fluoro-2,3-dihydro-1H-benzimidazole-1-yl)piperidino]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-1-one |
Inchi Key | KOTITFQGTVUMBT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31) |
PubChem CID | 9888494 |
ChEMBL | CHEMBL273921 |
IUPHAR | N/A |
BindingDB | 50125260 |
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 |
---|---|---|---|---|---|
174367 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
174370 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
174366 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
174375 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
174369 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
174364 | 5-hydroxytryptamine receptor 1F | P30939 | HTR1F | Homo sapiens (Human) | 366 |
174374 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
174377 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
174365 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
174373 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
174372 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
174371 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
174376 | 5-hydroxytryptamine receptor 7 | P32305 | Htr7 | Rattus norvegicus (Rat) | 448 |
174363 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
174378 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
174379 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
174368 | D(4) dopamine receptor | P21917 | DRD4 | Homo sapiens (Human) | 467 |
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