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NVS-MELK8a | NVS-MELK8a : Inhibitor of MELK
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (0 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
MELK
  • IC50:5 nM
  • Kd:2 nM
  • IC50:140 nM
  • IC50:110
  • IC50:3.64 µM
Inhibitor
100 nM to minimise off-target effects
1 µM

Selectivity

In Vitro Selectivity Assessment
FLT3

Gene ID: P36888

Organism: Homo sapiens

Family: Tyr protein kinase family

Potency: IC50 - 180 nM

Selectivity Assessment Description:
Screened at 1 μM, against 456 kinases, KinomeScan (DiscoverX). Closest targets as % of inhibition: F ...

Potency
Cellular
In Vitro

MELK

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.6b00052

In Vivo Validations

Mouse
Dose: 10 mg/kg
Route of delivery: Oral
Cmax: 34 nM
Tmax: 0.5 h
Area Under the Curve:: 83.2 nM x h
Fb : 3.6%

DOI Reference: 10.1021/acs.jmedchem.6b00052

Chemical Information

Molecular Formula C25H32N6O
SMILEs CN1CCN(c2ccc(-n3cc(-c4ccncc4OCC4CCNCC4)cn3)cc2)CC1
InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3
Molecular weight 432.26 Da
AlogP 0.0
HBond acceptors 7
HBond donors 1
Atoms 64
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 18 Nov 2024 )
Cellular Use Rating
NVS-MELK8a reported in this work presents a useful addition to the chemical tools for MELK. NVS-MELK8a showed potent (low nanomolar) biochemical kinase activity inhibition for both kinase domain and full...
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