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XMD8-92 | XMD8-92 : ATP competitive inhibitor of MAPK7
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (1 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
MAPK7
  • KD:80 nM
  • IC50:1.5 uM
ATP competitive
1-5 uM

Selectivity

In Vitro Selectivity Assessment

Potency: KD - DCAMKL2 190 nM, TNK1 890 nM, PLK4 600 nM

Potency Assay Off-Target:
XMD8-92 displaced ATP (>90%) at 10 uM against these related targets as well as DCAMKL1, but not for ...
In Cell Selectivity Assessment

Potency: IC50 - TNK1 10 uM, ACK1 18 uM

Potency Assay Off-Target:
Assessed XMD8-92 in Kinativ assay in HeLa cells

Potency
Cellular
In Vitro

MAPK7

Mode of Action: ATP competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1016/j.ccr.2010.08.008

In Vivo Validations

Sprague-Dawley rats
Dose: 2 mg/kg
Route of delivery: Oral
Plasma half life: 2 hr
Systemic clearance: 26 mg/min/kg
Organ of interest (O): xenograft
Target engagement assay: Indirect: depletion of pathway downstream of MAPK7 abrogates XMD8-92's anti-tumor activity

DOI Reference: 10.1016/j.ccr.2010.08.008

Orthogonal Probes def

BAY-885
AX15836

Chemical Information

Molecular Formula C26H30N6O3
SMILEs CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C
InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
Molecular weight 474.24 Da
AlogP 0.0
HBond acceptors 9
HBond donors 2
Atoms 65
PAINS * Yes

* This is an automated alert only, and may not necessarily indicate an issue with this probe. ( Learn more about PAINS )

Vendors

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Expert Reviews

by SERP
(on 16 May 2016 )
Cellular Use Rating
This compound inhibits the BET family of bromodomain-containing proteins and shouldn't be used as an ERK5 inhibitor. Substantially all of the reported biological activity for this compound derives...
by SERP
(on 20 May 2016 )
Cellular Use Rating
This compound is very selective as measured by broad profiling at DiscoverX and in a KiNativ experiment, and it blocks ERK5 in cells at about 1 micromolar. Improving the cellular activity would be a...
by SERP
(on 28 Apr 2017 )
Cellular Use Rating
In Model Organisms
XMD8-92 is a potent and selective inhibitor of BMK1 with a KD of 80 nM. Its selectivity was determined by evaluation against a panel of 402 kinases. It has a KD of 190, 890, and 600 nM against DCAMKL2,...

Portal Comments

The probe was re-scored by the SERP member, taking into consideration, the BET off-target effects.

(last updated: 1 Aug 2022)

Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria