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BAY-7598 | Inhibitor of MMP12
RATINGS:
Cellular Use: (0 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
MMP12
  • IC50:0.085 nM
  • Kd:0.004 nM
Inhibitor
< 10 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
> 100 fold selectivity vs all other human MMPs tested (> 40 fold selectivity of rodent ortholog MMP1 ...

Potency
Cellular
In Vitro

MMP12

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

Other Reference: SGC

In Vivo Validations

Mouse
Dose: 0.3 mg/Kg
Route of delivery: Intravenous
Plasma half life: 4.6 h
Systemic clearance: 0.16 (blood), 0.075 (plasma) L/h/Kg
Area Under the Curve:: 13 Kg*h/L
Fb : 99.23 %
Volume of Distribution at Steady-State: 0.42 L/Kg

Other Reference: SGC

Dose: 5 mg/Kg
Route of delivery: Oral
Plasma half life: 4.1 h
Cmax: 2.3 Kg/L
Tmax: 0.075 h
Area Under the Curve:: 11 Kg*h/L
Bioavailability: 86 %

Other Reference: SGC

Negative Control Compounds

BAY-694
Notes: BAY-694: >> 1,000 times less in biochemical assay (IC50 = 80 nM); clean GPCR scan

Chemical Information

Molecular Formula C28H31N3O6
SMILEs O=C(c1ccc(OCCC2CCOCC2)cc1)[C@H]1CC[C@@H](Cn2nnc3ccccc3c2=O)[C@@H]1C(=O)O
InChI InChI=1S/C28H31N3O6/c32-26(19-5-8-21(9-6-19)37-16-13-18-11-14-36-15-12-18)23-10-7-20(25(23)28(34)35)17-31-27(33)22-3-1-2-4-24(22)29-30-31/h1-6,8-9,18,20,23,25H,7,10-17H2,(H,34,35)/t20-,23-,25-/m0/s1
Molecular weight 505.22 Da
AlogP 3.5969000000000024
HBond acceptors 9
HBond donors 1
Atoms 68

Vendors

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Expert Reviews

No SERP comments found for BAY-7598

Probe BAY-7598 is in the process of SERP review.

Please continue to check back for new reviews and commentary.