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AMG-18 | AMG-18 : Allosteric inhibitor of ERN1
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
ERN1
  • IC50:13 nM
  • IC50:99 nM
Allosteric
100 - 1,000 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - JNK3 2.5 uM

Potency Assay Off-Target:
Kinase selectivity panel (DiscoveRX KINOMEscan): all 100 kinases < 50% at 1 uM; AMG-18 is 192-fold s ...
Selectivity Assessment Description:
Not available

Potency
Cellular
In Vitro

ERN1

Mode of Action: Allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/ml500315b

Chemical Information

Molecular Formula C31H29ClN6O3S
SMILEs Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
InChI InChI=1S/C31H29ClN6O3S/c1-20-13-14-22-23(8-4-11-27(22)38-42(39,40)28-12-3-2-10-25(28)32)29(20)41-30-24(9-6-17-34-30)26-15-18-35-31(37-26)36-21-7-5-16-33-19-21/h2-4,6,8-15,17-18,21,33,38H,5,7,16,19H2,1H3,(H,35,36,37)/t21-/m0/s1
Molecular weight 600.17 Da
AlogP 6.41062
HBond acceptors 9
HBond donors 3
Atoms 71

Vendors

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Expert Reviews

by SERP
(on 16 Jan 2017 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 8 Apr 2017 )
Cellular Use Rating
( The reviewer did not leave any comments )
by SERP+
(on 23 Sept 2024 )
Cellular Use Rating
The compound was only tested against 100 kinases and additional testing against a larger panel of kinases would be desirable to ensure selectivity.
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