difluoroagomelatine
SMILES | COc1ccc2c(c1)c(CCNC(=O)C(F)F)ccc2 |
InChIKey | UTLRQLQDJLNKNY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 279.1 |
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 |
AT2 | AGTR2 | Rat | Angiotensin | A | pIC50 | 9.22 | 9.22 | 9.22 | ChEMBL |
AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 8.31 | 8.31 | 8.31 | ChEMBL |