CHEMBL4159247
SMILES | COc1cccc(-c2c(C)n(Cc3c(C)cccc3F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F |
InChIKey | DSULJAVTIQEPAU-SANMLTNESA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 577.2 |
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 |
GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 6.23 | 6.23 | 6.23 | ChEMBL |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 8.8 | 9.02 | 9.24 | ChEMBL |