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KHK-IN-1 | XNB : Inhibitor of KHK
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
KHK
  • IC50:12 nM
  • IC50:400 nM
Inhibitor
up to 5 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Examined in a diverse panel of 31 protein kinases, representing different families, for off-target k ...

Potency
Cellular
In Vitro

KHK

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/ml200070g

In Vivo Validations

Rat
Dose: 10 mg/Kg
Route of delivery: Oral
Plasma half life: 4 h
Systemic clearance: 160 mL/min/Kg
Cmax: 0.16 uM
Bioavailability: 34%
Volume of Distribution at Steady-State: 32 L/Kg

DOI Reference: 10.1021/ml200070g

Chemical Information

Molecular Formula C21H26N8S
SMILEs CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12
InChI InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)
Molecular weight 422.20 Da
AlogP 3.1168000000000013
HBond acceptors 8
HBond donors 3
Atoms 56

References

Publications

Cross References

canSARChEMBLBindingDBPDB

Vendors

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Expert Reviews

by SERP
(on 10 Oct 2023 )
Cellular Use Rating
In Model Organisms
As well as this probe, PF-06835919 (https://doi.org/10.1021/acs.jmedchem.0c0094) which has been in clinical trials is a good probe for inhibiting KHK. Both could be used.
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