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
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

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