CHEMBL122401
SMILES | CCCCNC(=O)c1ccc(Br)c(-n2nc(CCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4cc(Cl)ccc4Cl)cc3F)c2=O)c1 |
InChIKey | JKXFAOAAQSTEDR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 13 |
Molecular weight (Da) | 815.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT2 | AGTR2 | Rat | Angiotensin | A | pIC50 | 9.44 | 9.74 | 10.04 | ChEMBL |
AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 9.36 | 9.36 | 9.36 | ChEMBL |
AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 8.8 | 8.8 | 8.8 | ChEMBL |