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NIK-SMI1 | Inhibitor of MAP3K14
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
MAP3K14
  • Ki:0.23 ± 0.17 nM
  • IC50:34 ± 6 nM
Inhibitor
150-400 nM
100 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
RelB 70 nM, RelA no inhibition, KHS1 > 50% in a 228 panel of kinases tested at 0.100 μM
In Cell Selectivity Assessment
Selectivity Assessment Description:
Outside target family - Indirect: no inhibition of nuclear translocation of RelA

Potency
Cellular
In Vitro

MAP3K14

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.8b00678

In Vivo Validations

Rat, Mouse, Dog, Monkey
Dose: 5 mg/Kg, Reviewer suggests higher than 100-200 mg/Kg PO
Route of delivery: Intravenous, Oral
Plasma half life: 84.9/90.1/95.3 % (H/R/M)
Systemic clearance: 6.5/21/53/16/19 mL/min/Kg (H/R/M/D/C)

DOI Reference: 10.1021/acs.jmedchem.8b00678

Chemical Information

Molecular Formula C20H19N3O4
SMILEs COc1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c1
InChI InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1
Molecular weight 365.14 Da
AlogP 0.8007999999999996
HBond acceptors 7
HBond donors 3
Atoms 46

References

Publications

Cross References

Vendors

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Expert Reviews

by SERP
(on 8 Dec 2020 )
Cellular Use Rating
In Model Organisms
NIK SMI1: Is a highly potent and selective NF-κB-inducing kinase (NIK) inhibitor with Ki of 0.23 nM for NIK-catalyzed hydrolysis of ATP to ADP. Inhibits expression of NF-κB response...
by SERP
(on 2 Mar 2021 )
Cellular Use Rating
In Model Organisms
The primary references provide strong support for on target NIK (MAP3K14) potency, efficacy and selectivity within the kinome for NIK SM1. In functional assays ~1 uM in cells and 200 mg/kg BID orally...
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