Chemical Probes logo
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
Download

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

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

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:...
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