MMP13 tracer [18F]5j   Click here for help

GtoPdb Ligand ID: 12669

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: Aberrant activation of matrix metalloproteinase 13 (MMP13), whose substrate is fibrillar collagen, in atherosclerotic plaques is associated with the progression of unstable atherosclerosis [2-4]. This fluorine-18 labelled MMP13 inhibitor can be used to visualise MMP13 within atherosclerotic plaques [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 79.79
Molecular weight 391.34
XLogP 0.89
No. Lipinski's rules broken 0
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Canonical SMILES CC1=CC(=CC=C1F)CNC(=O)C2=NC3=C(C(=C(C=C3)F)OCC[18F])C(=O)N2
Isomeric SMILES O=C1NC(C(NCC2=CC(C)=C(F)C=C2)=O)=NC3=C1C(=C(C=C3)F)OCC[18F]
InChI InChI=1S/C19H16F3N3O3/c1-10-8-11(2-3-12(10)21)9-23-19(27)17-24-14-5-4-13(22)16(28-7-6-20)15(14)18(26)25-17/h2-5,8H,6-7,9H2,1H3,(H,23,27)(H,24,25,26)/i20-1
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Compound class Synthetic organic
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Database Links Click here for help
GtoPdb PubChem SID 483123217
PubChem CID 168433294
Search Google for chemical match using the InChIKey MVQCEAOGAKVDKG-LRFGSCOBSA-N
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