Anti-invasive compounds

A method for inhibiting the invasiveness of tumor cells in a subject, said method comprising contacting said cells with a pharmaceutically effective amount of a compound, wherein said compound has Formula I:

• or a stereoisomer, tautomer, racemic, pro- or predrug, salt, hydrate, or solvate thereof, wherein:
• A1, A2 and A3 are independently selected from C and O;
• R1, R2, R3, R4, R5, and R6 are each independently selected from —H, -halo, —C1-6 alkyl, and —O—C1-6 alkyl;
• and
• x and y are each independently selected from 1 or 2;
• and
• wherein said compound has a predicted lowest active concentration of 0.1 μM or less as predicted by an in silico method to predict the anti-invasive activity of said compound;
• said in silico method comprising the steps of:
• (1) determining theoretical molecular descriptors for said compound, wherein the theoretical molecular descriptors comprise:
• (a) maximal antibonding contribution of one molecular orbital (D1),
• (b) partial surface area for atom C (D2),
• (c) final heat of formation/# atoms (D3),
• (d) XY Shadow/XY Rectangle (D4),
• (e) minimum 1-electron reaction index for an oxygen atom (D5), and
• (f) polarity parameter (D6);
• and
• (2) determining log cmin for said compound, wherein log cmin is determined in accordance with the following Equation:
• log cmin=−58.90+(28.63×D1)−(16.29×D2)+(1.093×D3)+(9.904×D4)−(116.3×D5)+(17.01×D6)
• wherein:
• when log cmin is >−1.5 and ≦−0.5, said compound is predicted to have anti-invasive activity at a lowest active concentration of about 0.1 μM,
• when log cmin is >−2.5 and ≦−1.5, said compound is predicted to have anti-invasive activity at a lowest active concentration of about 0.01 μM, and
• when log cmin is ≦−2.5, said compound is predicted to have anti-invasive activity at a lowest active concentration of <0.01 μM.