ZIRITAXESTAT |
ZIRITAXESTAT : LPC competitive inhibitor of ENPP2
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ENPP2 |
|
|
LPC competitive
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 | 3.4324 |
| HBond acceptors | 10 |
| HBond donors | 1 |
| Atoms | 75 |