Compound ID | 3549
Synonym(s): Glivec | STI571
Class: Small molecule antibacterial agent
Details of activity: | Active against Mycobacterium tuberculosis and Mycobacterium marinum |
Description: | Synthetic compound; repurposed FDA-approved anticancer drug (tyrosine kinase inhibitor); shows synergistic effect with antituberculosis drugs |
Year first mentioned: | 2012 |
Development status: | Experimental |
Chemical structure(s): | |
Canonical SMILES: | CC1=CC=C(C=C1NC2=NC(=CC=N2)C3=CN=CC=C3)NC(=O)C4=CC=C(C=C4)CN5CCN(C)CC5 |
Isomeric SMILES: | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 |
InChI: | InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) |
InChI Key: | KTUFNOKKBVMGRW-UHFFFAOYSA-N |