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| Name | CHEMBL45460 |
|---|---|
| Molecular formula | C19H27N4O3- |
| IUPAC name | 1-[5-ethyl-2-hydroxy-4-[6-methyl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)heptoxy]phenyl]ethanone |
| Molecular weight | 359.45 |
| Hydrogen bond acceptor | 7 |
| Hydrogen bond donor | 1 |
| XlogP | 4.0 |
| Synonyms | AJ-64270 sodium 1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)heptyloxy]phenyl}-1-ethanone 1-{5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)heptyloxy]phenyl}-1-ethanone; with sodium ion BDBM50036749 Sodium salt of 1-{5-Ethyl-2-hydroxy-4-[6-methyl-6-(2H-tetrazol-5-yl)-heptyloxy]-phenyl}-ethanone |
| Inchi Key | FKBUCAKNDBEHSA-UHFFFAOYSA-M |
| Inchi ID | InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12H,5-10H2,1-4H3,(H2,20,21,22,23,24,25)/p-1 |
| PubChem CID | 86310951 |
| ChEMBL | N/A |
| IUPHAR | N/A |
| BindingDB | 50036749 |
| 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 |
|---|---|---|---|---|---|
| 80257 | Leukotriene B4 receptor 1 | Q15722 | LTB4R | Homo sapiens (Human) | 352 |
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