ronacaleret
SMILES | O[C@@H](COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C |
InChIKey | FQJISUPNMFRIFZ-HXUWFJFHSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 11 |
Molecular weight (Da) | 447.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
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 | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.58 | 8.34 | 9.1 | ChEMBL |