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mPGES1-IN-3 | mPGES1-IN-3 : Inhibitor of PTGES
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

Targets Biochemical/Biophysical Potency Cellular Potency
PTGES
  • IC50:8 nM
  • IC50:16.24 nM
  • IC50:249.9 nM
Inhibitor
up to 5 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Profiled in a battery of in vitro and cellular assays to evaluate its selectivity over other prostan ...

Potency
Cellular
In Vitro

PTGES

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1016/j.bmcl.2016.10.079

In Vivo Validations

Rat
Dose: 1 mg/Kg
Route of delivery: Intravenous
Plasma half life: 6.2 h
Systemic clearance: 18.8 ± 4.5 mL/min/Kg
Volume of Distribution at Steady-State: 10.24 ± 5.9 L/Kg

DOI Reference: 10.1016/j.bmcl.2016.10.079

Dose: 10, 30, 100 mg/Kg
Route of delivery: Oral
Cmax: 163, 598, 2035 ng/mL
Tmax: 4, 4, 8 h
Area Under the Curve:: 149, 2259, 8403 ng*h/mL
Bioavailability: 23, 29, 24%

DOI Reference: 10.1016/j.bmcl.2016.10.079

Guinea Pig
Dose: 100 mg/Kg
Route of delivery: Oral
Cmax: 676 mg/Kg
Tmax: 6 h
Area Under the Curve:: 10739 ng*h/mL

DOI Reference: 10.1016/j.bmcl.2016.10.079

Chemical Information

Molecular Formula C24H16ClF5N4O3
SMILEs Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cc(F)cc(C(F)(F)F)c3)c3c(c21)OCCO3
InChI InChI=1S/C24H16ClF5N4O3/c1-34-19-17(32-23(34)33-18-15(25)3-2-4-16(18)27)10-14(20-21(19)37-6-5-36-20)22(35)31-13-8-11(24(28,29)30)7-12(26)9-13/h2-4,7-10H,5-6H2,1H3,(H,31,35)(H,32,33)
Molecular weight 538.08 Da
AlogP 6.2908
HBond acceptors 7
HBond donors 2
Atoms 53

References

Publications

Cross References

canSARChEMBLBindingDB

Expert Reviews

No SERP comments found for mPGES1-IN-3

Probe mPGES1-IN-3 is in the process of SERP review.

Please continue to check back for new reviews and commentary.