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BAY-707 | Inhibitor of NUDT1
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (1 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

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Targets Biochemical/Biophysical Potency Cellular Potency
NUDT1
  • IC50:2.3 nM
  • EC50 :7.6 nM
1 nM to 1 µM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Tm shift assay
Selectivity Assessment Description:
BAY-707 is a selective NUDT1 (MTH1) inhibitor across the Nudix family
In Cell Selectivity Assessment
Selectivity Assessment Description:
high selectivity in an in-house kinase panel comprised of 30 kinases

Potency
Cellular
In Vitro

NUDT1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acschembio.7b00370

In Vivo Validations

Mouse Microsomes, Human Microsomes
Dose: 25 mg/Kg, 250 mg/Kg
Systemic clearance: 0.3 L/h/kg

DOI Reference: 10.1021/acschembio.7b00370

Negative Control Compounds

BAY-604
Notes: IC50 >20000 nM Two hits in GPCR scan: GABAA/BZP (Ki = 224.22 nM) and DRD4 (Ki = 735.98 nM)

Chemical Information

Molecular Formula C15H20N4O2
SMILEs CCNC(=O)c1cc2c(N3CCOC[C@@H]3C)ccnc2[nH]1
InChI InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1
Molecular weight 288.16 Da
AlogP 1.5376999999999998
HBond acceptors 6
HBond donors 2
Atoms 41

Vendors

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Expert Reviews

by SERP
(on 28 Jun 2020)
Cellular Use Rating
BAY-707 is a potent inhibitor of the NUTD1 (MHT1) hydrolase. It was selective across the Nudix family. However, additional selectivity data outside the Nudix family has not been published. Therefore,...
by SERP
(on 25 Aug 2021)
Cellular Use Rating
In Model Organisms
BAY-707 is a potent, selective NUDT1 inhibitor that demonstrates enzymatic inhibition in vitro, and cellular target engagement in cells using CETSA. It does not demonstrate broad anti-cancer activity...
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