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BI-4394 | BI-4394 : Inhibitor of MMP13
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
MMP13
  • IC50:1 nM
  • IC50:31 nM
  • IC50:11 nM
Inhibitor
100 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selectivity within target family: Highly selective (> 1000-fold) against other matrix metalloprotein ...

Potency
Cellular
In Vitro

MMP13

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/jm201129m

In Vivo Validations

Rat
Dose: 1 mg/Kg IV, 10 mg/Kg PO
Route of delivery: Intravenous, Oral
Plasma half life: 0.47 h
Systemic clearance: 39 mL/min/Kg
Cmax: 1657 nM
Area Under the Curve:: 1109 (IV), 4328 (PO) nM*h/mL
Bioavailability: 39%
Volume of Distribution at Steady-State: 0.4 L/Kg

DOI Reference: 10.1021/jm201129m

Negative Control Compounds

BI 4395
Notes: BI-4395: IC50 > 26 µM; Clean GPCR scan

Chemical Information

Molecular Formula C24H22N4O5
SMILEs CCOC(=O)c1cc2cc(-c3cc(C(=O)NCc4ccc(C(=O)O)cc4)nn3C)ccc2[nH]1
InChI InChI=1S/C24H22N4O5/c1-3-33-24(32)20-11-17-10-16(8-9-18(17)26-20)21-12-19(27-28(21)2)22(29)25-13-14-4-6-15(7-5-14)23(30)31/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,30,31)
Molecular weight 446.16 Da
AlogP 0.0
HBond acceptors 9
HBond donors 3
Atoms 55

Vendors

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Expert Reviews

by SERP
(on 23 Feb 2022)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
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