MJN110   Click here for help

GtoPdb Ligand ID: 10028

Synonyms: MJN 110 | MJN-110
Compound class: Synthetic organic
Comment: MJN110 is a potent selective inhibitor of MAGL, the enzyme predominantly responsible for the degradation of the endocannabinoid 2-arachidonoylglycerol (2-AG).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 70.16
Molecular weight 461.09
XLogP 2.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)ON1C(=O)CCC1=O
Isomeric SMILES O=C(N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)ON1C(=O)CCC1=O
InChI InChI=1S/C22H21Cl2N3O4/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)25-11-13-26(14-12-25)22(30)31-27-19(28)9-10-20(27)29/h1-8,21H,9-14H2
InChI Key BEADRWVIFHOSGN-UHFFFAOYSA-N
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Monoacylglycerol lipase Hs Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 9.1x10-9 M) [1]