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PF-3166 | PF-3166 : Allosteric inhibitor of PADI2
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
PADI2
  • IC50:150 nM
  • IC50:580 nM
  • IC50:610 nM
  • Kd:221 nM
  • ΔTm:9 degrees
  • IC50:3000 nM
Allosteric
up to 10 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
No inhibition of PAD3 or PAD4 activity was observed for PF-3166 up to a high dose of 80 μM

Potency
Cellular
In Vitro

PADI2

Mode of Action: Allosteric

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acschembio.4c00397

Orthogonal Probes def

GSK199

Chemical Information

Molecular Formula C43H42BrClN6O5S
SMILEs CNC(=O)[C@H]1CCCN1Cc1ccc2nc(-c3cccc(Oc4ccc(Cl)cc4)c3)n([C@@H](CC(=O)Nc3cc(NS(C)(=O)=O)ccc3C)c3ccccc3Br)c2c1
InChI InChI=1S/C43H42BrClN6O5S/c1-27-13-17-31(49-57(3,54)55)24-37(27)47-41(52)25-39(34-10-4-5-11-35(34)44)51-40-22-28(26-50-21-7-12-38(50)43(53)46-2)14-20-36(40)48-42(51)29-8-6-9-33(23-29)56-32-18-15-30(45)16-19-32/h4-6,8-11,13-20,22-24,38-39,49H,7,12,21,25-26H2,1-3H3,(H,46,53)(H,47,52)/t38-,39+/m1/s1
Molecular weight 868.18 Da
AlogP 8.920020000000001
HBond acceptors 11
HBond donors 3
Atoms 99

References

Publications

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Expert Reviews

No SERP comments found for PF-3166

Probe PF-3166 is in the process of SERP review.

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