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LSN-3213128 | Inhibitor of ATIC
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 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
ATIC
  • IC50:16 ± 11 nM
  • IC50:19 ± 8 nM
Inhibitor
up to 200 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Enzymatic Assay, Eurofins
Selectivity Assessment Description:
Selective for AICARFT with IC50s >100 μM against TS, SHMT1, MTHFD1, MTHFD2 and MTHFD2L. The co ...

Potency
Cellular
In Vitro

ATIC

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.7b01046

In Vivo Validations

Mouse
Dose: 1 mg/Kg (IV), 10 mg/Kg (PO)
Route of delivery: Intravenous, Oral
Plasma half life: 1.4 h (PO)
Systemic clearance: 78 ML/min/Kg (IV)

DOI Reference: 10.1021/acs.jmedchem.7b01046

Chemical Information

Molecular Formula C17H16FN3O4S2
SMILEs O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4CC[C@@H](O)C4)s3)cc12
InChI InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m1/s1
Molecular weight 409.06 Da
AlogP 2.1005000000000003
HBond acceptors 7
HBond donors 3
Atoms 43

References

Publications

Cross References

Vendors

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Expert Reviews

by SERP
(on 4 Aug 2021 )
Cellular Use Rating
In Model Organisms
Concentration note: The compound is a straightforward competitive inhibitor. So the inhibitory effect of the compound greatly differs depending on the cellular folate concentration.
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