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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 public comments)
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