CHEMBL83414
SMILES | CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cnc3ccccc23)cc1 |
InChIKey | YKTIZKJPEDDNSJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 634.2 |
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 | AGTRB | Rat | Angiotensin | A | pIC50 | 6.97 | 6.97 | 6.97 | ChEMBL |