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Name | CHEMBL320222 |
---|---|
Molecular formula | C33H25ClF6N4O4S |
IUPAC name | 2-chloro-N-[2-[4-[[5-oxo-3-(4,4,4-trifluorobutyl)-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylbenzamide |
Molecular weight | 723.087 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 1 |
XlogP | 7.9 |
Synonyms | BDBM50039858 4''-[5-Oxo-3-(4,4,4-trifluoro-butyl)-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid 2-chloro-benzoylamide |
Inchi Key | CBIPYYSLZMYMPZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H25ClF6N4O4S/c34-26-11-4-1-9-24(26)30(45)42-49(47,48)28-13-6-2-8-23(28)22-17-15-21(16-18-22)20-43-29(14-7-19-32(35,36)37)41-44(31(43)46)27-12-5-3-10-25(27)33(38,39)40/h1-6,8-13,15-18H,7,14,19-20H2,(H,42,45) |
PubChem CID | 10372718 |
ChEMBL | CHEMBL320222 |
IUPHAR | N/A |
BindingDB | 50039858 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
37917 | Type-1 angiotensin II receptor | P34976 | AGTR1 | Oryctolagus cuniculus (Rabbit) | 359 |
37916 | Type-2 angiotensin II receptor | P35351 | Agtr2 | Rattus norvegicus (Rat) | 363 |
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