CHEMBL267838
SMILES | Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)CNCCc2cnc4[nH]nnc4c2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 |
InChIKey | YUIAPOXITJAXSN-OAQYLSRUSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 633.3 |
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 |
GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pKi | 9.22 | 9.22 | 9.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 8.19 | 8.19 | 8.19 | ChEMBL |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 8.05 | 8.05 | 8.05 | ChEMBL |