CHEMBL75401
SMILES | Cc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F |
InChIKey | LNKVMRUZWGLRSF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 651.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | Human | Angiotensin | A | pIC50 | 7.58 | 7.58 | 7.58 | ChEMBL |
AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 7.9 | 7.9 | 7.9 | ChEMBL |
AT2 | AGTR2 | Rat | Angiotensin | A | pIC50 | 8.98 | 9.06 | 9.14 | ChEMBL |
AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 8.64 | 8.64 | 8.64 | ChEMBL |