IOX2   Click here for help

GtoPdb Ligand ID: 8229

Synonyms: compound 6 [1]
Compound class: Synthetic organic
Comment: IOX2 is a selective, cell permeable inhibitor of the hypoxia inducible factor (HIF) prolyl-hydroxylase protein PHD2. This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 108.63
Molecular weight 352.11
XLogP 3.99
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OC(=O)CNC(=O)c1c(O)c2ccccc2n(c1=O)Cc1ccccc1
Isomeric SMILES OC(=O)CNC(=O)c1c(O)c2ccccc2n(c1=O)Cc1ccccc1
InChI InChI=1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
Synonyms Click here for help
compound 6 [1]
Database Links Click here for help
CAS Registry No. 931398-72-0
ChEMBL Ligand CHEMBL3186774
GtoPdb PubChem SID 249565909
PubChem CID 54685215
Search Google for chemical match using the InChIKey CAOSCCRYLYQBES-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CAOSCCRYLYQBES
UniChem Compound Search for chemical match using the InChIKey CAOSCCRYLYQBES-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CAOSCCRYLYQBES-UHFFFAOYSA-N

Product suppliers

View disclaimer

IOX 2 (links to external site)
Cat. No. 4451