compound 1 [PMID: 22795084]

Ligand id: 7032

Name: compound 1 [PMID: 22795084]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 95.15
Molecular weight 302.12
XLogP 3.18
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
In the screening assays compound 1 did not inhibit PRMTs 1, 4, 5 or 8 [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
protein arginine methyltransferase 3 Hs Inhibitor Inhibition 5.6 pIC50 - 1
pIC50 5.6 (IC50 2.5x10-6 M) [1]
Description: IC50 was measured using a SAHH (S-adenosylhomocysteine hydrolase)-coupled in vitro assay.