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Name | CHEMBL368475 |
---|---|
Molecular formula | C20H21F3N2S |
IUPAC name | 11-(1-methylpiperidin-4-ylidene)-9-(trifluoromethylsulfanyl)-5,6-dihydropyrrolo[2,1-b][3]benzazepine |
Molecular weight | 378.457 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.2 |
Synonyms | BDBM50026973 11-(1-Methyl-piperidin-4-ylidene)-9-trifluoromethylsulfanyl-6,11-dihydro-5H-benzo[d]pyrrolo[1,2-a]azepine |
Inchi Key | FIYYHZQEJYUHEB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H21F3N2S/c1-24-10-6-15(7-11-24)19-17-13-16(26-20(21,22)23)5-4-14(17)8-12-25-9-2-3-18(19)25/h2-5,9,13H,6-8,10-12H2,1H3 |
PubChem CID | 13141187 |
ChEMBL | CHEMBL368475 |
IUPHAR | N/A |
BindingDB | 50026973 |
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 |
---|---|---|---|---|---|
79510 | Alpha-1A adrenergic receptor | P18130 | ADRA1A | Bos taurus (Bovine) | 466 |
79511 | Alpha-2A adrenergic receptor | Q28838 | ADRA2A | Bos taurus (Bovine) | 452 |
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