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JNJ-42226314 | J-42226314 : Competitive reversible inhibitor of MGLL
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 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
MGLL
  • IC50:< 5 nM
  • IC50:1.13 ± 0.05 nM
  • IC50:up to 10 µM
Competitive
100 nM to 1µM
up to 10 µM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Serine protease panel (15 proteases) at 10 µM: clean Panel of endocannabinoid related targets: Close ...

Potency
Cellular
In Vitro

MGLL

Mode of Action: Competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1016/j.bmcl.2020.127243

In Vivo Validations

Rat
Dose: 10 mg/Kg
Route of delivery: Oral
Plasma half life: 6.82 h
Systemic clearance: 19.2 mL/min/Kg
Cmax: 710 ng/mL
Tmax: 1.75 h
Area Under the Curve:: 3730 h*ng/mL
Bioavailability: 45%
Volume of Distribution at Steady-State: 1.22 L/Kg

DOI Reference: 10.1016/j.bmcl.2020.127243

Dog
Dose: 10 mg/Kg
Route of delivery: Oral
Plasma half life: 7.46 h
Systemic clearance: 4.35 mL/min/Kg
Cmax: 2863 ng/mL
Tmax: 2.0 h
Area Under the Curve:: 33560 h*ng/mL
Bioavailability: 79%
Volume of Distribution at Steady-State: 0.56 L/Kg

DOI Reference: 10.1016/j.bmcl.2020.127243

Monkey (Cynomolgus)
Dose: 10 mg/Kg
Route of delivery: Oral
Plasma half life: 4.62 h
Systemic clearance: 4.46 mL/min/Kg
Cmax: 5300 ng/mL
Tmax: 2.67 h
Area Under the Curve:: 33258 h*ng/mL
Bioavailability: 82%
Volume of Distribution at Steady-State: 0.429 L/Kg

DOI Reference: 10.1016/j.bmcl.2020.127243

Negative Control Compounds

JNJ-8034
Notes: Fluorometric Assay (Inhibition of 4MU-B cleavage): IC50 > 10 µM
SMILES: Cc1cc(C(N2CCN(CC2)C2CN(C2)C(c2ccc(cc2)c2ccccc2)=O)=O)no1

Chemical Information

Molecular Formula C26H24FN5O2S
SMILEs O=C(c1ccc2c(ccn2-c2ccc(F)cc2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChI InChI=1S/C26H24FN5O2S/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24/h1-9,14-15,22H,10-13,16-17H2
Molecular weight 489.16 Da
AlogP 0.0
HBond acceptors 7
HBond donors --
Atoms 59

Vendors

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Expert Reviews

by SERP
(on 26 Oct 2023)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
by SERP
(on 2 Nov 2023)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
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