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ML323 | ML323 : Allosteric inhibitor of USP1, WDR48
RATINGS:
Cellular Use: (3 reviews)

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

Targets Biochemical/Biophysical Potency Cellular Potency
USP1
  • IC 50:76 nM
WDR48
  • IC 50:76 nM
250-20,000 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
ML323 showed no notable activity against the USPs (USP2, USP5, USP7, USP8, USP10, USP11, USP14 and U ...
Selectivity Assessment Description:
ML323 off-target activity was assessed by determining the inhibitory effect of ML323 against 70 unre ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
ML323 did not inhibit the labeling of the DUBs, USP8, USP7, CYLD, USP5, USP14, UCH-L3 and UCH-L1, te ...

Potency
Cellular
In Vitro

USP1

Mode of Action: Allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/nchembio.1455

WDR48

Mode of Action: Allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/nchembio.1455

Negative Control Compounds

NCGC-959

Chemical Information

Molecular Formula C23H24N6
SMILEs Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1
InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
Molecular weight 384.21 Da
AlogP 4.768220000000003
HBond acceptors 6
HBond donors 1
Atoms 53

References

Publications

Cross References

GDSC2

Vendors

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Expert Reviews

by SERP
(on 15 Jan 2017 )
Cellular Use Rating
ML323 is a selective USP1/UAF1 inhibitor that has been shown to have good Caco-2 permeability and to be efficacious in cellular assays at ≥5 µM. A compound in the same series (compound 77 in J. Med....
by SERP
(on 16 Jan 2017 )
Cellular Use Rating
ML323 is an allosteric, selective inhibitor of the USP1/UAF1 complex (also called USP1/WDR48). Note that ML323 is much less effective in inhibiting USP1 alone in biochemical assays. The full implications...
by SERP
(on 22 Jan 2017 )
Cellular Use Rating
ML-323 is a unique, cell-permeable and highly selective inhibitor of the USP1/UAF1 complex. A notable discordance between biochemical and cellular potency for ML-323 is observed, and should be further...
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