10967/154 - QDB Compounds

QsarDB Repository

Singh, A. QSAR for the organophosphate-induced inhibition and ‘aging’ of the enzyme neuropathy target esterase (NTE). SAR QSAR Environ. Res. 2001, 12, 275-295.

Compound

ID:Paraoxon
Name:Paraoxon
Description:
Labels:
CAS:311-45-5
InChi Code:InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

Properties

ratioI50NTE_I50AChE: Ratio of (log10I50NTE/log10I50AChE)

ValueSource or prediction
3.23

experimental value

3.40284

Eq.6: Inhibition of NTE and AChE by organophosphates (Training set)

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