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ZIRITAXESTAT | ZIRITAXESTAT : LPC competitive inhibitor of ENPP2
RATINGS:
Cellular Use: (0 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

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Targets Biochemical/Biophysical Potency Cellular Potency
ENPP2
  • Ki:15 nM
  • IC50:131 nM
  • IC50:242 nM
up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
The compound was selective over related enzymes like ENPP1, phosphodiesterase 4 (PDE4) and PDE5 (enz ...

Potency
Cellular
In Vitro

ENPP2

Mode of Action: LPC competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.7b00032

In Vivo Validations

Mouse
Dose: 3 mg/Kg
Route of delivery: Oral
Plasma half life: 2.21 h
Cmax: 1075 ng/mL
Tmax: 3 h
Area Under the Curve:: 5553 ng*h/mL

DOI Reference: 10.1021/acs.jmedchem.7b00032

Dose: 10 mg/Kg
Route of delivery: Oral
Plasma half life: 2.22 h
Cmax: 4363 ng/mL
Tmax: 1 h
Area Under the Curve:: 20786 ng*h/mL

DOI Reference: 10.1021/acs.jmedchem.7b00032

Dose: 30 mg/Kg
Route of delivery: Oral
Plasma half life: 3.79 h
Cmax: 21367 ng/mL
Tmax: 1h
Area Under the Curve:: 101225 ng*h/mL

DOI Reference: 10.1021/acs.jmedchem.7b00032

Chemical Information

Molecular Formula C30H33FN8O2S
SMILEs CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
Molecular weight 588.24 Da
AlogP 3.4324000000000012
HBond acceptors 10
HBond donors 1
Atoms 75

Expert Reviews

No SERP comments found for ZIRITAXESTAT

Probe ZIRITAXESTAT is in the process of SERP review.

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