IOX1

Ligand id: 8230

Name: IOX1

Structure and Physico-chemical Properties

2D Structure
Calculated 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 1.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-hydroxyquinoline-5-carboxylic acid
Database Links
BindingDB Ligand 50396018
CAS Registry No. 5852-78-8
ChEMBL Ligand CHEMBL1230640
PubChem CID 459617
RCSB PDB Ligand 8XQ
Search Google for chemical match using the InChIKey JGRPKOGHYBAVMW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JGRPKOGHYBAVMW
Search UniChem for chemical match using the InChIKey JGRPKOGHYBAVMW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JGRPKOGHYBAVMW
SynPHARM 81842 (in complex with lysine demethylase 6B)
Comments
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.