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GNE-886 | GNE-886 : Inhibitor of CECR2
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
CECR2
  • IC50:16 nM
  • Kd:42 nM
  • EC50:370 nM
Inhibitor
up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Within target family: GNE-886 has a wide selectivity over the 40 bromodomains tested, with only BRD9 ...

Potency
Cellular
In Vitro

CECR2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acsmedchemlett.7b00132

Chemical Information

Molecular Formula C28H30N6O3
SMILEs C=CCn1cc(C(=O)N(C)C2CCN(c3cc(-c4cccc(OC)c4)ncn3)CC2)c2cc[nH]c2c1=O
InChI InChI=1S/C28H30N6O3/c1-4-12-34-17-23(22-8-11-29-26(22)28(34)36)27(35)32(2)20-9-13-33(14-10-20)25-16-24(30-18-31-25)19-6-5-7-21(15-19)37-3/h4-8,11,15-18,20,29H,1,9-10,12-14H2,2-3H3
Molecular weight 498.24 Da
AlogP 3.7222
HBond acceptors 9
HBond donors 1
Atoms 67

References

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Cross References

canSARChEMBLBindingDB

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Expert Reviews

by SERP
(on 5 Feb 2023 )
Cellular Use Rating
This is a high quality chemical probe for the bromodomain of "Cat Eye Syndrome Chromosome Region Candidate 2" (CECR2). The selectivity of the probe has been comprehensively tested against the bromodomain...
by SERP+
(on 22 Mar 2023 )
Cellular Use Rating
GNE-886 was tested against 40 bromodomain proteins and showed generally good selectivity. TAF1 (15 fold) and BRD7 (26 fold) are closest off-targets. In an assay of 35 kinases at 1 µM concentration, Lck...
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