Ligand id: 6840

Name: pralatrexate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 11
Topological polar surface area 207.3
Molecular weight 477.18
XLogP -0.63
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Izbicka E, Diaz A, Streeper R, Wick M, Campos D, Steffen R, Saunders M. (2009)
Distinct mechanistic activity profile of pralatrexate in comparison to other antifolates in in vitro and in vivo models of human cancers.
Cancer Chemother. Pharmacol., 64 (5): 993-9. [PMID:19221750]