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JNK3-IN-8 | Inhibitor of MAPK10
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 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
MAPK10
  • IC50:21 nM
Inhibitor
up to 20 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity within target family: in enzymatic assay selective again JNK2 2203 nM and JNK1 >10000 n ...

Potency
Cellular
In Vitro

MAPK10

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.3c00393

In Vivo Validations

Mouse
Dose: 3 mg/Kg
Route of delivery: Oral
Plasma half life: 0.97 h
Cmax: 423.18 ng/mL
Tmax: 0.39 h
Area Under the Curve:: 727.09 h*ng/mL
Target engagement assay: PAMPA-BBB 55.80 ± 1.37% Caco-2 assay efflux ratio 14.74 1 × 10–6 cm/s (moderate)

DOI Reference: 10.1021/acs.jmedchem.3c00393

Chemical Information

Molecular Formula C32H30FN7O3
SMILEs CNC(=O)Oc1cc(F)c2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@H]4CCCN(C(=O)C5CC5)C4)n3)c2c1
InChI InChI=1S/C32H30FN7O3/c1-34-32(42)43-24-16-25(33)28-26(17-24)40(29(38-28)22-11-8-19-5-2-3-6-21(19)15-22)27-12-13-35-31(37-27)36-23-7-4-14-39(18-23)30(41)20-9-10-20/h2-3,5-6,8,11-13,15-17,20,23H,4,7,9-10,14,18H2,1H3,(H,34,42)(H,35,36,37)/t23-/m0/s1
Molecular weight 579.24 Da
AlogP 0.0
HBond acceptors 10
HBond donors 2
Atoms 73

Vendors

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Expert Reviews

by SERP
(on 12 Aug 2023 )
Cellular Use Rating
In Model Organisms
JNK3-IN-8 is a potent JNK3 inhibitor with good selectivity within the JNK MAPK family. It is a carbamate pro-drug and the compound will convert into the hydroxyl analogue in vivo and in cells. Introduction...
by SERP
(on 13 Aug 2023 )
Cellular Use Rating
In Model Organisms
The concentration of 20 uM is clearly too high as in vitro JNK2 IC50 = 2203 nM and JNK1 > 10 uM. The free drug concentrations in cells, and/or JNK3 occupancy are unknown. In the selectivity panel, there...
by SERP
(on 23 Aug 2023 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
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