ACY-738   Click here for help

GtoPdb Ligand ID: 11120

Synonyms: example 73 [WO2012068109A2]
Compound class: Synthetic organic
Comment: ACY-738 is an orally-bioavailable histone deacetylase (HDAC) inhibitor [1-2]. It has some selectivity for HDAC6.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 87.14
Molecular weight 270.11
XLogP 1.08
No. Lipinski's rules broken 0
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Canonical SMILES ONC(=O)c1cnc(nc1)NC1(CC1)c1ccccc1
Isomeric SMILES ONC(=O)c1cnc(nc1)NC1(CC1)c1ccccc1
InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)
1. Cao Y, Ding Y, Liu Y, Mazitschek R, Van Duzer JH, Yu N. (2012)
Pyrimidine hydroxy amide compounds as protein deacetylase inhibitors and methods of use thereof.
Patent number: WO2012068109A2. Assignee: Acetylon Pharmaceuticals. Priority date: 16/11/2010. Publication date: 24/05/2012.
2. Jochems J, Boulden J, Lee BG, Blendy JA, Jarpe M, Mazitschek R, Van Duzer JH, Jones S, Berton O. (2014)
Antidepressant-like properties of novel HDAC6-selective inhibitors with improved brain bioavailability.
Neuropsychopharmacology, 39 (2): 389-400. [PMID:23954848]
3. LoPresti P. (2019)
The Selective HDAC6 Inhibitor ACY-738 Impacts Memory and Disease Regulation in an Animal Model of Multiple Sclerosis.
Front Neurol, 10: 519. [PMID:31316445]