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

References
1. Davey AE, Leach K, Valant C, Conigrave AD, Sexton PM, Christopoulos A. (2012)
Positive and negative allosteric modulators promote biased signaling at the calcium-sensing receptor.
Endocrinology, 153 (3): 1232-41. [PMID:22210744]
2. Faure H, Gorojankina T, Rice N, Dauban P, Dodd RH, Bräuner-Osborne H, Rognan D, Ruat M. (2009)
Molecular determinants of non-competitive antagonist binding to the mouse GPRC6A receptor.
Cell Calcium, 46 (5-6): 323-32. [PMID:19836834]
3. Hellyer SD, Albold S, Wang T, Chen ANY, May LT, Leach K, Gregory KJ. (2018)
"Selective" Class C G Protein-Coupled Receptor Modulators Are Neutral or Biased mGlu5 Allosteric Ligands.
Mol. Pharmacol., 93 (5): 504-514. [PMID:29514854]
4. Leach K, Gregory KJ, Kufareva I, Khajehali E, Cook AE, Abagyan R, Conigrave AD, Sexton PM, Christopoulos A. (2016)
Towards a structural understanding of allosteric drugs at the human calcium-sensing receptor.
Cell Res., 26 (5): 574-92. [PMID:27002221]
5. Leach K, Wen A, Cook AE, Sexton PM, Conigrave AD, Christopoulos A. (2013)
Impact of clinically relevant mutations on the pharmacoregulation and signaling bias of the calcium-sensing receptor by positive and negative allosteric modulators.
Endocrinology, 154 (3): 1105-16. [PMID:23372019]
6. Nemeth EF, Delmar EG, Heaton WL, Miller MA, Lambert LD, Conklin RL, Gowen M, Gleason JG, Bhatnagar PK, Fox J. (2001)
Calcilytic compounds: potent and selective Ca2+ receptor antagonists that stimulate secretion of parathyroid hormone.
J. Pharmacol. Exp. Ther., 299 (1): 323-31. [PMID:11561095]
7. Yang W, Wang Y, Roberge JY, Ma Z, Liu Y, Michael Lawrence R, Rotella DP, Seethala R, Feyen JH, Dickson JK. (2005)
Discovery and structure-activity relationships of 2-benzylpyrrolidine-substituted aryloxypropanols as calcium-sensing receptor antagonists.
Bioorg Med Chem Lett, 15: 1225-1228. [PMID:15686947]