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Name | Befiradol |
---|---|
Molecular formula | C20H22ClF2N3O |
IUPAC name | (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone |
Molecular weight | 393.863 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | (3-Chloro-4-fluoro-phenyl)-(4-fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-methanone BDBM50328639 F-13640 UNII-RAT9OHA1YH 110B649 [ Show all ] |
Inchi Key | PKZXLMVXBZICTF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3 |
PubChem CID | 9865384 |
ChEMBL | CHEMBL45305 |
IUPHAR | 3925 |
BindingDB | 50328639 |
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 |
---|---|---|---|---|---|
262383 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
262385 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
262384 | 5-hydroxytryptamine receptor 2A | P50129 | HTR2A | Sus scrofa (Pig) | 470 |
262387 | D(1A) dopamine receptor | P50130 | DRD1 | Sus scrofa (Pig) | 446 |
262386 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
262382 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
529048 | D(4) dopamine receptor | P21917 | DRD4 | Homo sapiens (Human) | 467 |
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