encaleret
SMILES | O[C@H](CNC(Cc1ccc(c(c1)F)Cl)(C)C)CO[C@@H](c1ccccc1c1ccc(c(c1)C)C(=O)O)C |
InChIKey | UNFHDRVFEQPUEL-DENIHFKCSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 11 |
Molecular weight (Da) | 513.2 |
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 |
CaS | CASR | Human | Calcium-sensing | C | pIC50 | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.77 | 5.77 | 5.77 | ChEMBL |
CaS | CASR | Human | Calcium-sensing | C | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |