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| Name | CHEMBL316482 |
|---|---|
| Molecular formula | C31H33F3N4O5S |
| IUPAC name | butyl N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamate |
| Molecular weight | 630.683 |
| Hydrogen bond acceptor | 9 |
| Hydrogen bond donor | 1 |
| XlogP | 6.9 |
| Synonyms | N-[[4'-[[[1-[2-(Trifluoromethyl)phenyl]-3-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol]-4-yl]methyl]-1,1'-biphenyl-2-yl]sulfonyl]carbamic acid butyl ester 2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,5-dihydro-1H-1,2,4-triazol-4-ylmethyl]phenyl}-1-(N-butoxycarbonyl)benzenesulfonamide BDBM50039927 |
| Inchi Key | BCSNTIJHQVSLMI-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C31H33F3N4O5S/c1-3-5-15-28-35-38(26-13-9-8-12-25(26)31(32,33)34)30(40)37(28)21-22-16-18-23(19-17-22)24-11-7-10-14-27(24)44(41,42)36-29(39)43-20-6-4-2/h7-14,16-19H,3-6,15,20-21H2,1-2H3,(H,36,39) |
| PubChem CID | 9960852 |
| ChEMBL | CHEMBL316482 |
| IUPHAR | N/A |
| BindingDB | 50039927 |
| 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 |
|---|---|---|---|---|---|
| 20477 | Type-1 angiotensin II receptor | P34976 | AGTR1 | Oryctolagus cuniculus (Rabbit) | 359 |
| 20478 | Type-2 angiotensin II receptor | P35351 | Agtr2 | Rattus norvegicus (Rat) | 363 |
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