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hCES2A-IN-9d | hCES2A-IN-9d : Covalent Inhibitor of CES2
RATINGS:
Cellular Use: (1 reviews)

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

Targets Biochemical/Biophysical Potency Cellular Potency
CES2
  • IC50:0.12 nM
  • Ki:0.42 nM
  • IC50:19.65 nM
Covalent Inhibitor
up to 100 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Cpd 9d was 59x selective again CES1A in biochemical assays.

Potency
Cellular
In Vitro

CES2

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.5c00563

Chemical Information

Molecular Formula C29H35NO5
SMILEs CCCCCCCCC(=O)c1cccc2oc(-c3cc(OC)ccc3OC(=O)N3CCCC3)cc12
InChI InChI=1S/C29H35NO5/c1-3-4-5-6-7-8-13-25(31)22-12-11-14-26-23(22)20-28(34-26)24-19-21(33-2)15-16-27(24)35-29(32)30-17-9-10-18-30/h11-12,14-16,19-20H,3-10,13,17-18H2,1-2H3
Molecular weight 477.25 Da
AlogP 7.636300000000008
HBond acceptors 6
HBond donors --
Atoms 70

References

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Expert Reviews

by SERP
(on 17 Aug 2025 )
Cellular Use Rating
hCES2A_IN-9 (compound 9d) is a highly potent covalent hCES2A inhibitor with cellular activity. However, further studies are needed before considering this compound as a hCES2A specific probe. Critical...
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria