tiludronic acid

Ligand id: 7604

Name: tiludronic acid

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 159.98
Molecular weight 317.93
XLogP -0.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Bioactivity Comments
In an in vitro hydroxyapatite (HPA) binding assay, tiludrinic acid bound 51.5% of HPA [2]. Tiludrinic acid also inhibits human matrix metalloproteinase 2 (MMP-2, IC50 7200nM) and potently inhibits the growth of mouse J774 macrophages [2].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
MMP2 Hs Inhibitor Inhibition 5.1 pIC50 - 2
pIC50 5.1 (IC50 7.2x10-6 M) [2]