teglicar   Click here for help

GtoPdb Ligand ID: 12976

Synonyms: compound 17 [Giannessi et al., 2003] | ST-1326 | ST1326
PDB Ligand
Compound class: Synthetic organic
Comment: Teglicar (ST1326) is a reversible carnitine palmitoyltransferase inhibitor [2]. It is a substrate analogue that mimics palmitoylcarnitine. Teglicar has been investigated for anti-cancer effects in solid [1] and liquid tumours [3-5].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 20
Topological polar surface area 81.26
Molecular weight 399.61
XLogP 5.15
No. Lipinski's rules broken 2
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InChI InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1
Bioactivity Comments
Quantitative data were determined in mitochondial isolates from rat tissues [2]. Expression of CPT1A is assessed as being most significant in liver (where CPT1B is absent), and CPT1B in heart muscle. However CPT1A can also be detected in heart muscle.
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
carnitine palmitoyltransferase 2 Rn Inhibitor Inhibition 6.6 pIC50 - 7
pIC50 6.6 (IC50 2.4x10-7 M) [7]
carnitine palmitoyltransferase 1A Rn Inhibitor Inhibition 6.0 pIC50 - 2
pIC50 6.0 (IC50 1.1x10-6 M) [2]
Description: Measuring the incorporation of [14C]-palmitoyl residue on carnitine in intact fresh liver mithocondria from male Sprague-Dawley rats
carnitine palmitoyltransferase 1B Rn Inhibitor Inhibition 4.4 pIC50 - 2
pIC50 4.4 (IC50 4.34x10-5 M) [2]
Description: Measuring the incorporation of [14C]-palmitoyl residue on carnitine in intact fresh heart mithocondria from male Sprague-Dawley rats
Targets where the ligand is described in the comment field
Target Comment