L-158809
| SMILES | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
| InChIKey | YFWXFHNZGKNDBC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 409.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT1 | AGTRA | Rat | Angiotensin | A | pKi | 9.35 | 9.35 | 9.35 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT1 | AGTR1 | Bovine | Angiotensin | A | pIC50 | 7.57 | 7.57 | 7.57 | ChEMBL |
| AT1 | AGTRA | Rat | Angiotensin | A | pIC50 | 9.4 | 9.4 | 9.4 | ChEMBL |
| AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 9.4 | 9.4 | 9.4 | ChEMBL |
| AT2 | AGTR2 | Rat | Angiotensin | A | pIC50 | 4.3 | 5.87 | 7.43 | ChEMBL |
| AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 9.1 | 9.41 | 9.52 | ChEMBL |
| AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 9.7 | 9.7 | 9.7 | ChEMBL |
| AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 8.57 | 9.04 | 9.52 | ChEMBL |