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| Name | CHEMBL339672 |
|---|---|
| Molecular formula | C35H32Cl2FN5O5S |
| IUPAC name | N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-chlorobenzamide |
| Molecular weight | 724.629 |
| Hydrogen bond acceptor | 7 |
| Hydrogen bond donor | 2 |
| XlogP | 7.0 |
| Synonyms | SCHEMBL9141136 5-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-2-[2-chloro-5-(propionylamino)-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one CFMUZUVRPWGTOR-UHFFFAOYSA-N N-(3-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-3-fluoro-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-phenyl)-propionamide N-[4-Chloro-3-[[3-butyl-4,5-dihydro-5-oxo-4-[[3-fluoro-2'-[(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-1H-1,2,4-triazol]-1-yl]phenyl]propanamide [ Show all ] |
| Inchi Key | CFMUZUVRPWGTOR-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C35H32Cl2FN5O5S/c1-3-5-14-32-40-43(30-20-24(17-18-28(30)37)39-33(44)4-2)35(46)42(32)21-23-16-15-22(19-29(23)38)25-10-7-9-13-31(25)49(47,48)41-34(45)26-11-6-8-12-27(26)36/h6-13,15-20H,3-5,14,21H2,1-2H3,(H,39,44)(H,41,45) |
| PubChem CID | 10032820 |
| ChEMBL | CHEMBL339672 |
| IUPHAR | N/A |
| BindingDB | 50030692 |
| 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 |
|---|---|---|---|---|---|
| 40783 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
| 40784 | Type-1 angiotensin II receptor | P34976 | AGTR1 | Oryctolagus cuniculus (Rabbit) | 359 |
| 40785 | Type-2 angiotensin II receptor | P35351 | Agtr2 | Rattus norvegicus (Rat) | 363 |
| 40786 | Type-2 angiotensin II receptor | P50052 | AGTR2 | Homo sapiens (Human) | 363 |
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