compound 19 [PMID: 7707314]

Ligand id: 8892

Name: compound 19 [PMID: 7707314]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 92.62
Molecular weight 441.03
XLogP 2.16
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 19 is a highly potent cytotoxic agent in vitro and in vivo [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
DNA topoisomerase I Bt Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.8x10-8 M) [1]
Description: Concentration of compound required to produce approximately 50% fragmentation of P-32 end- labeled DNA in the presence of calf thymus topoisomerase I.