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BAY-678 | BAY-678 : Inhibitor of ELANE
RATINGS:
Cellular Use: (1 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
ELANE
  • IC50:20 nM
  • Ki:15 nM
Inhibitor
no in cell activity detected

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selectivity within target family: > 30-fold selective over 21 serine proteases (for all IC50 > 30 µM ...

Potency
Cellular
In Vitro

ELANE

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1002/cmdc.201500131

In Vivo Validations

Rat
Dose: 0.3 mg/Kg
Route of delivery: Intravenous, Oral
Plasma half life: 1.3 h
Systemic clearance: 2.0 L/h/Kg
Bioavailability: 83%
Volume of Distribution at Steady-State: 3.9 L/Kg

DOI Reference: 10.1002/cmdc.201500131

Negative Control Compounds

BAY-677
Notes: BAY-677: IC50 > 2000 nM; Clean GPCR scan

Chemical Information

Molecular Formula C20H15F3N4O2
SMILEs CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1
InChI InChI=1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29)/t18-/m1/s1
Molecular weight 400.11 Da
AlogP 4.105980000000003
HBond acceptors 6
HBond donors 1
Atoms 44

Vendors

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Expert Reviews

by SERP
(on 18 Feb 2022)
Cellular Use Rating
In Model Organisms
Potent and selective HNE inhibitor. Activity in cellular assays not reported but no cell penetration issues are expected. Good bioavailability in rat with half-life of 1.3 h with PO administration. NB:...
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