CHEMBL331455
SMILES | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)C)cc1F |
InChIKey | FLXDMWLJSWWEJF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 705.2 |
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 |
AT2 | AGTR2 | Rat | Angiotensin | A | pIC50 | 9.25 | 9.39 | 9.54 | ChEMBL |
AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 9.62 | 9.62 | 9.62 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 9.35 | 9.35 | 9.35 | ChEMBL |
AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 8.57 | 8.57 | 8.57 | ChEMBL |