CHEMBL339040
| SMILES | CCCCc1nn(-c2cc(C(=O)NCCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F |
| InChIKey | YWIJHCDHJCZLFM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 699.2 |
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 | 9.57 | 9.62 | 9.68 | ChEMBL |
| AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 9.57 | 9.57 | 9.57 | ChEMBL |
| AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 8.47 | 8.47 | 8.47 | ChEMBL |
| AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 9.19 | 9.19 | 9.19 | ChEMBL |