CHEMBL331450
| SMILES | CCCNC(=O)c1ccc(C(F)(F)F)c(-n2nc(CCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4)cc3F)c2=O)c1 |
| InChIKey | PMYDSQVDDCOZRD-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 723.2 |
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 | 9.72 | 10.0 | 10.28 | ChEMBL |
| AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 9.72 | 9.72 | 9.72 | ChEMBL |
| AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 8.77 | 8.77 | 8.77 | ChEMBL |
| AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 9.0 | 9.0 | 9.0 | ChEMBL |