CHEMBL338434
SMILES | CCCCC(=O)Nc1ccc(C(F)(F)F)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3F)c2=O)c1 |
InChIKey | AADDKLKFCNPPIE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 13 |
Molecular weight (Da) | 747.3 |
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 | 9.66 | 9.73 | 9.8 | ChEMBL |
AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 9.38 | 9.38 | 9.38 | ChEMBL |
AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 8.42 | 8.74 | 9.06 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 9.05 | 9.22 | 9.39 | ChEMBL |