Ligand id: 3308

Name: cinacalcet

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 12.03
Molecular weight 357.17
XLogP 9.81
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Cook AE, Mistry SN, Gregory KJ, Furness SG, Sexton PM, Scammells PJ, Conigrave AD, Christopoulos A, Leach K. (2015)
Biased allosteric modulation at the CaS receptor engendered by structurally diverse calcimimetics.
Br. J. Pharmacol., 172 (1): 185-200. [PMID:25220431]
2. 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]
3. 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]
4. 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]
5. Levi R, Ben-Dov IZ, Lavi-Moshayoff V, Dinur M, Martin D, Naveh-Many T, Silver J. (2006)
Increased parathyroid hormone gene expression in secondary hyperparathyroidism of experimental uremia is reversed by calcimimetics: correlation with posttranslational modification of the trans acting factor AUF1.
J. Am. Soc. Nephrol., 17 (1): 107-12. [PMID:16291838]
6. Nemeth EF, Heaton WH, Miller M, Fox J, Balandrin MF, Van Wagenen BC, Colloton M, Karbon W, Scherrer J, Shatzen E et al.. (2004)
Pharmacodynamics of the type II calcimimetic compound cinacalcet HCl.
J. Pharmacol. Exp. Ther., 308 (2): 627-35. [PMID:14593085]