MM-433593   Click here for help

GtoPdb Ligand ID: 9944

Synonyms: MM433593
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: The authors of this study claim MM-433593 is a oral, potent and selective inhibitor of fatty acid amide hydrolase-1 (FAAH1) with potential for treatment of pain, inflammation, and other disorders [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 73.22
Molecular weight 447.13
XLogP 5.38
No. Lipinski's rules broken 1
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Canonical SMILES COc1nccc(c1)NC(=O)C(=O)c1c2cc(C)ccc2n(c1C)Cc1ccc(cc1)Cl
Isomeric SMILES COc1nccc(c1)NC(=O)C(=O)c1c2cc(C)ccc2n(c1C)Cc1ccc(cc1)Cl
InChI InChI=1S/C25H22ClN3O3/c1-15-4-9-21-20(12-15)23(16(2)29(21)14-17-5-7-18(26)8-6-17)24(30)25(31)28-19-10-11-27-22(13-19)32-3/h4-13H,14H2,1-3H3,(H,27,28,31)
Bioactivity Comments
In the absence of in vitro affinity data in the paper [1], a value has been extracted from patent US20150175599 where MM-433593 is Example 76 [2].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Fatty acid amide hydrolase Hs Inhibitor Inhibition 7.0 pIC50 -
pIC50 7.0 (IC50 1x10-7 M)