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

1. Arteaga CL, Brown TD, Kuhn JG, Shen HS, O'Rourke TJ, Beougher K, Brentzel HJ, Von Hoff DD, Weiss GR. (1989)
Phase I clinical and pharmacokinetic trial of Brequinar sodium (DuP 785; NSC 368390).
Cancer Res., 49 (16): 4648-53. [PMID:2743343]