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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