zoledronic acid

Ligand id: 3177

Name: zoledronic acid

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 172.73
Molecular weight 272
XLogP -4.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dunford JE, Kwaasi AA, Rogers MJ, Barnett BL, Ebetino FH, Russell RG, Oppermann U, Kavanagh KL. (2008)
Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase.
J. Med. Chem., 51 (7): 2187-95. [PMID:18327899]
2. Lühe A, Künkele KP, Haiker M, Schad K, Zihlmann C, Bauss F, Suter L, Pfister T. (2008)
Preclinical evidence for nitrogen-containing bisphosphonate inhibition of farnesyl diphosphate (FPP) synthase in the kidney: implications for renal safety.
Toxicol In Vitro, 22 (4): 899-909. [PMID:18325729]
3. Simoni D, Gebbia N, Invidiata FP, Eleopra M, Marchetti P, Rondanin R, Baruchello R, Provera S, Marchioro C, Tolomeo M et al.. (2008)
Design, synthesis, and biological evaluation of novel aminobisphosphonates possessing an in vivo antitumor activity through a gammadelta-T lymphocytes-mediated activation mechanism.
J. Med. Chem., 51 (21): 6800-7. [PMID:18937434]