CHEMBL122273
SMILES | CCCCC(=O)Nc1ccc(Br)c(-n2nc(CC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4F)cc3F)c2=O)c1 |
InChIKey | RGSWLSVTRUVUDY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 751.1 |
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 |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 9.14 | 9.14 | 9.14 | ChEMBL |
AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 9.19 | 9.19 | 9.19 | ChEMBL |
AT2 | AGTR2 | Rat | Angiotensin | A | pIC50 | 9.6 | 9.7 | 9.8 | ChEMBL |
AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 9.66 | 9.66 | 9.66 | ChEMBL |