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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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