CHEMBL293001
SMILES | CCCCc1cc(=O)n2nc(-c3ccccc3)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
InChIKey | NYRQQEFQBCBNOY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 502.2 |
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 |
AT1 | AGTR1 | Bovine | Angiotensin | A | pIC50 | 6.28 | 6.28 | 6.28 | ChEMBL |
AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 7.08 | 7.08 | 7.08 | ChEMBL |