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Name | CHEMBL138690 |
---|---|
Molecular formula | C33H30Cl3N5O6S |
IUPAC name | N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3,4-dichlorofuran-2-carboxamide |
Molecular weight | 731.042 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 6.9 |
Synonyms | SCHEMBL9145756 BDBM50035458 N-[3-(3-Butyl-4-{2''-[(3,4-dichloro-furan-2-carbonyl)-sulfamoyl]-biphenyl-4-ylmethyl}-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)-4-chloro-phenyl]-propionamide |
Inchi Key | CXWPDUZOJKSECX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H30Cl3N5O6S/c1-3-5-10-28-38-41(26-17-22(15-16-24(26)34)37-29(42)4-2)33(44)40(28)18-20-11-13-21(14-12-20)23-8-6-7-9-27(23)48(45,46)39-32(43)31-30(36)25(35)19-47-31/h6-9,11-17,19H,3-5,10,18H2,1-2H3,(H,37,42)(H,39,43) |
PubChem CID | 10032858 |
ChEMBL | CHEMBL138690 |
IUPHAR | N/A |
BindingDB | 50035458 |
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 |
---|---|---|---|---|---|
53208 | Type-1 angiotensin II receptor | P34976 | AGTR1 | Oryctolagus cuniculus (Rabbit) | 359 |
53209 | Type-2 angiotensin II receptor | P35351 | Agtr2 | Rattus norvegicus (Rat) | 363 |
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