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Name | (E)-Flupenthixol |
---|---|
Molecular formula | C23H25F3N2OS |
IUPAC name | 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol |
Molecular weight | 434.521 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.5 |
Synonyms | 2-[4-[3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazinyl]ethanol BDBM86722 cis(Z)Flupenthixol Fluanxol (TN) Flupentixol [INN:DCF] [ Show all ] |
Inchi Key | NJMYODHXAKYRHW-BLLMUTORSA-N |
Inchi ID | InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ |
PubChem CID | 5281878 |
ChEMBL | CHEMBL42055 |
IUPHAR | 968 |
BindingDB | 50026957 |
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 |
---|---|---|---|---|---|
224941 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
556365 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
224933 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
224931 | Alpha-2C adrenergic receptor | P22086 | Adra2c | Rattus norvegicus (Rat) | 458 |
224932 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
224934 | D(1A) dopamine receptor | Q61616 | Drd1 | Mus musculus (Mouse) | 446 |
224937 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
224939 | D(1A) dopamine receptor | Q95136 | DRD1 | Bos taurus (Bovine) | 446 |
224935 | D(1B) dopamine receptor | P21918 | DRD5 | Homo sapiens (Human) | 477 |
224938 | D(1B) dopamine receptor | P25115 | Drd5 | Rattus norvegicus (Rat) | 475 |
554390 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
556359 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
556360 | D(2) dopamine receptor | P61168 | Drd2 | Mus musculus (Mouse) | 444 |
556362 | D(2) dopamine receptor | P20288 | DRD2 | Bos taurus (Bovine) | 444 |
556363 | D(2) dopamine receptor | Q9GJU1 | DRD2 | Canis lupus familiaris (Dog) | 443 |
554389 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
556361 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
556364 | D(4) dopamine receptor | P21917 | DRD4 | Homo sapiens (Human) | 467 |
224944 | Histamine H2 receptor | P47747 | HRH2 | Cavia porcellus (Guinea pig) | 359 |
224936 | Muscarinic acetylcholine receptor M1 | P08482 | Chrm1 | Rattus norvegicus (Rat) | 460 |
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