NPS 2143

Ligand id: 716

Name: NPS 2143

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 65.28
Molecular weight 408.16
XLogP 5.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
CaS receptor Hs Allosteric modulator Negative 6.2 – 6.7 pKB - 1,4-5
pKB 6.2 – 6.7 [1,4-5]
Description: Ca2+i release
mGlu5 receptor Rn Allosteric modulator Positive 5.1 pKB - 3
pKB 5.1 [3]
CaS receptor Hs Allosteric modulator Negative 7.1 – 7.4 pIC50 - 6-7
pIC50 7.1 – 7.4 [6-7]
GPRC6 receptor Mm Allosteric modulator Negative ~5.0 pIC50 - 2
pIC50 ~5.0 (IC50 ~1x10-5 M) [2]
Description: This is an inferred IC50 based on 10µM of the compound inhibiting maximum L-ornithine-induced activation of GPCR6 by approximately 50% (see Fig 1B in reference).