NPS 2143


SMILES N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O
InChIKey PZUJQWHTIRWCID-HXUWFJFHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 408.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7M3E 7DD5 7M3J 7SIN
Ligand site mutations CaS GPRC6

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 7.1 7.25 7.4 Guide to Pharmacology
CaS CASR Human Calcium-sensing C pKB 6.2 6.45 6.7 Guide to Pharmacology
mGlu5 GRM5 Rat Metabotropic glutamate C pKB 5.08 5.08 5.08 Guide to Pharmacology
GPRC6 GPC6A Mouse C Orphans C pIC50 5.0 5.0 5.0 Guide to Pharmacology
CaS CASR Bovine Calcium-sensing C pEC50 7.39 7.39 7.39 ChEMBL
CaS CASR Rat Calcium-sensing C pIC50 6.28 6.31 6.34 ChEMBL
CaS CASR Human Calcium-sensing C pIC50 7.3 7.92 10.24 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.37 6.87 8.37 ChEMBL