Ligand id: 7406

Name: brequinar

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.19
Molecular weight 375.11
XLogP 7.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Potential anti-neoplastic activity. The drug exhibits anti-neoplastic activity against refractory solid tumors in human and mouse models with continuous treatment being necessary to effectively deplete pyrimidine pools in the cancer cells and cause tumour inhibition [1].
Mechanism Of Action and Pharmacodynamic Effects
Brequinar inhibits dihydroorotate dehydrogenase (DHODH), the fourth enzyme in the de novo pyrimidine biosynthesis pathway. Pyrimidines are essential for DNA and RNA synthesis and are therefore crucial for cell growth and division.