CHEMBL368511
SMILES | COc1cccc(-n2c(=O)n(Cc3c(F)cccc3Br)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F |
InChIKey | JPJCBKFCBLFFDG-IBGZPJMESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 558.1 |
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 |
GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 7.62 | 8.16 | 8.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.48 | 7.48 | 7.48 | ChEMBL |