[18F]FMBP   Click here for help

GtoPdb Ligand ID: 12670

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: [18F]FMBP is a matrix metalloproteinase 13 (MMP13) PET radiotracer, that can be used to visualise MMP13 in the extracellular matrix of vascular (atherosclerotic) plaques [1]. Its structure was used as a scaffold for the design of MMP13 tracer [18F]5j.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 92.15
Molecular weight 440.44
XLogP 0.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1=CC(=CC=C1F)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC=C(C=C3)OCC[18F]
Isomeric SMILES CC1=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC=C(OCC[18F])C=C3)=CC=C1F
InChI InChI=1S/C23H22F2N4O3/c1-15-10-17(4-7-19(15)25)13-27-23(31)21-11-20(28-14-29-21)22(30)26-12-16-2-5-18(6-3-16)32-9-8-24/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,26,30)(H,27,31)/i24-1
InChI Key LFPCMFKRSZMPFZ-MIGPCILRSA-N
References
1. Buchler A, Munch M, Farber G, Zhao X, Al-Haddad R, Farber E, Rotstein BH. (2022)
Selective Imaging of Matrix Metalloproteinase-13 to Detect Extracellular Matrix Remodeling in Atherosclerotic Lesions.
Mol Imaging Biol, 24 (1): 93-103. [PMID:34231104]