IOX1   Click here for help

GtoPdb Ligand ID: 8230

PDB Ligand
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.
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
8-hydroxyquinoline-5-carboxylic acid
Database Links Click here for help
BindingDB Ligand 50396018
CAS Registry No. 5852-78-8
ChEMBL Ligand CHEMBL1230640
GtoPdb PubChem SID 249565910
PubChem CID 459617
RCSB PDB Ligand 8XQ
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SynPHARM 81842 (in complex with lysine demethylase 6B)

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Tocris
IOX 1
Cat. No. 4464