IOX1   

GtoPdb Ligand ID: 8230

Compound class: Synthetic organic
Comment: IOX1 is a cell-permeable, broad-spectrum 2-oxoglutarate oxygenase inhibitor [1]. This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 70.42
Molecular weight 189.04
XLogP 1.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)c1ccc(c2c1cccn2)O
Isomeric SMILES OC(=O)c1ccc(c2c1cccn2)O
InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
InChI Key JGRPKOGHYBAVMW-UHFFFAOYSA-N
References
1. Schiller R, Scozzafava G, Tumber A, Wickens JR, Bush JT, Rai G, Lejeune C, Choi H, Yeh TL, Chan MC et al.. (2014)
A cell-permeable ester derivative of the JmjC histone demethylase inhibitor IOX1.
ChemMedChem, 9 (3): 566-71. [PMID:24504543]