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A-446 | A-446 : Inhibitor of GLS
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 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
GLS
  • IC50:31 nM
  • IC50:11 nM
Inhibitor
10 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selectivity within target family - GLS2 Enzyme activity assay: IC50 > 30 µM (>1000-fold selectivity) ...

Potency
Cellular
In Vitro

GLS

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

Other Reference: not yet available

In Vivo Validations

Mouse
Dose: 50-200 mg/Kg BID
Route of delivery: Oral

Other Reference: not yet available

Negative Control Compounds

CANSAR3550553
Notes: GAC (GLS) Enzyme activity assay: : IC50 > 30 µM (> 100-fold less active); GLS2 Enzyme activity assay: : IC50 > 30 µM

Chemical Information

Molecular Formula C19H19N7OS
SMILEs O=C(Cc1ccccc1)Nc1nnc(N2C[C@H]3C[C@@H]2CN3c2cccnn2)s1
InChI InChI=1S/C19H19N7OS/c27-17(9-13-5-2-1-3-6-13)21-18-23-24-19(28-18)26-12-14-10-15(26)11-25(14)16-7-4-8-20-22-16/h1-8,14-15H,9-12H2,(H,21,23,27)/t14-,15-/m1/s1
Molecular weight 393.14 Da
AlogP 0.0
HBond acceptors 8
HBond donors 1
Atoms 47

Expert Reviews

by SERP
(on 22 May 2022 )
Cellular Use Rating
In Model Organisms
According to the in-vitro inhibitory potency, selectivity, and the clean CEREP panel A-446 has high potential to be a recommendable chemical probe. However, there are curently no publications on the use...
by SERP
(on 14 Jun 2022 )
Cellular Use Rating
In Model Organisms
A-446 is a useful chemical probe for GLS2. It appears to be the best available probe for this target. At this time, there are no peer-reviewed publications describing this probe so a more robust assessment...
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