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
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

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

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pKi 6.4 6.7 7.0 Guide to Pharmacology
β3 ADRB3 Mouse Adrenoceptors A pKi 6.5 6.5 6.5 Guide to Pharmacology
β3 ADRB3 Rat Adrenoceptors A pKi 6.5 6.5 6.5 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKi 6.02 6.07 6.18 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.54 5.98 6.2 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 4.95 5.45 5.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Rat Adrenoceptors A pIC50 5.89 7.32 8.04 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pIC50 5.48 6.1 6.72 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 6.17 7.7 10.02 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 6.54 6.92 7.3 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.52 5.52 5.52 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 5.77 5.77 5.77 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 5.3 5.3 5.3 ChEMBL
β3 ADRB3 Rat Adrenoceptors A pEC50 8.08 8.37 8.66 ChEMBL
β2 ADRB2 Dog Adrenoceptors A pIC50 8.04 8.04 8.04 ChEMBL