mocetinostat   Click here for help

GtoPdb Ligand ID: 7008

Synonyms: MGCD0103
Compound class: Synthetic organic
Comment: Mocetinostat inhibits Class I HDACs [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 105.82
Molecular weight 396.17
XLogP 2.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1ccc(cc1)CNc1nccc(n1)c1cccnc1)Nc1ccccc1N
Isomeric SMILES O=C(c1ccc(cc1)CNc1nccc(n1)c1cccnc1)Nc1ccccc1N
InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
InChI Key HRNLUBSXIHFDHP-UHFFFAOYSA-N
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Summary of Clinical Use Click here for help
Mocetinostat has advanced to Phase 2 evaluation in multiple cancer indications. Click here to link to ClinicalTrials.gov's full list of mocetinostat studies.