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| Name | CHEMBL94582 |
|---|---|
| Molecular formula | C27H24ClF3N4O4S |
| IUPAC name | N-[2-[4-[[3-butyl-1-(2-chlorophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide |
| Molecular weight | 593.018 |
| Hydrogen bond acceptor | 8 |
| Hydrogen bond donor | 1 |
| XlogP | 6.1 |
| Synonyms | 4''-[3-Butyl-1-(2-chloro-phenyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2,2,2-trifluoro-acetyl)-amide ACIJKSZKWJVCPE-UHFFFAOYSA-N 5-n-Butyl-2-(2-chlorophenyl)-2,4-dihydro-4-[[2'-[N-(trifluoroacetyl)sulfamoyl]biphenyl-4-yl]methyl]-3H-1,2,4-triazol-3-one BDBM50039891 SCHEMBL9141854 |
| Inchi Key | ACIJKSZKWJVCPE-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C27H24ClF3N4O4S/c1-2-3-12-24-32-35(22-10-6-5-9-21(22)28)26(37)34(24)17-18-13-15-19(16-14-18)20-8-4-7-11-23(20)40(38,39)33-25(36)27(29,30)31/h4-11,13-16H,2-3,12,17H2,1H3,(H,33,36) |
| PubChem CID | 10054188 |
| ChEMBL | CHEMBL94582 |
| IUPHAR | N/A |
| BindingDB | 50039891 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 1609 | Type-1 angiotensin II receptor | P34976 | AGTR1 | Oryctolagus cuniculus (Rabbit) | 359 |
| 1608 | Type-2 angiotensin II receptor | P35351 | Agtr2 | Rattus norvegicus (Rat) | 363 |
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