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. 2013 Jun 6;66:228–237. doi: 10.1016/j.ejmech.2013.05.044

Table 4.

COMPARE analysis results for compounds 4d and 4f.

Compound End point PCCa Target Target vector NSC Target mechanism of actionb
4d GI50 0.651 Brequinar S368390 Dihydroorotate dehydrogenase inhibitor
0.634 Dichloroallyl lawsone S126771 DNA/RNA antimetabolite
0.626 Trimetrexate S352122 Dihydrofolate reductase inhibitor
0.62 l-Cysteine analog S303861 Reversible binding inhibitor of the human kinesin Eg5, antimitotic agent
0.586 Soluble Baker's Antifol S139105 RNA/DNA antimetabolite
0.568 Glycoxalic acid S267213
4f GI50 0.636 Maytansine S153858 RNA/DNA antimetabolite
0.573 Rhizoxin S749069 Microtubule polymerization inhibitor
0.550 Macbecin II S269148 DNA antimetabolite
a

Only correlations with PCC ≥ 0.55 were selected, as significant.

b

Putative mechanisms of action were identified with the use of literature sources.