CHEMBL87778
| SMILES | CCCCc1nn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
| InChIKey | STODEQQYGGTXOS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 431.2 |
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 |
| AT1 | AGTR1 | Rabbit | Angiotensin | A | pKd | 8.86 | 8.86 | 8.86 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 8.29 | 8.29 | 8.3 | ChEMBL |
| AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 8.3 | 8.53 | 8.74 | ChEMBL |