CHEMBL124771
SMILES | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F |
InChIKey | ANYZBXXMSODYCE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 729.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 9.41 | 9.48 | 9.55 | ChEMBL |
AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 9.92 | 9.92 | 9.92 | ChEMBL |
AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 8.64 | 8.64 | 8.64 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 9.3 | 9.3 | 9.3 | ChEMBL |