compound 6b [PMID: 22749870]

Ligand id: 8814

Name: compound 6b [PMID: 22749870]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 218.78
Molecular weight 425.05
XLogP 4.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Compound 6b inhibits iron absorption in vivo [1], and represents a chemical scaffold for further optimisation in the search for novel therapeutics for the prevention and treatment of iron overload disorders. Compound 6b does not inhibit the closely related transporter SLC11A1 (NRAMP1).
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
DMT1 Hs Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 8x10-8 M) [1]