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Name | CHEMBL417954 |
---|---|
Molecular formula | C19H21F5N4O3 |
IUPAC name | 5-fluoro-3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione |
Molecular weight | 448.394 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 2.7 |
Synonyms | BDBM50220788 3-[3-[4-[2-(2,2,2-Trifluoroethoxy)-4-fluorophenyl]piperazino]propyl]-5-fluorouracil |
Inchi Key | BVVTZMMHKZWLED-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H21F5N4O3/c20-13-2-3-15(16(10-13)31-12-19(22,23)24)27-8-6-26(7-9-27)4-1-5-28-17(29)14(21)11-25-18(28)30/h2-3,10-11H,1,4-9,12H2,(H,25,30) |
PubChem CID | 44298650 |
ChEMBL | CHEMBL417954 |
IUPHAR | N/A |
BindingDB | 50220788 |
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 |
---|---|---|---|---|---|
34114 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
34115 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
34116 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
34117 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
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