Compound ID | 3549

Update compound information

Imatinib

Synonym(s): Glivec  |  STI571

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule;
Spectrum of activity: Antimycobacterial
Mechanism of action: Unknown
Target Pathogen: 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):
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Molecular weight: 493.6
Iso. 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 Key: KTUFNOKKBVMGRW-UHFFFAOYSA-N
Can. SMILES: CC1=CC=C(C=C1NC2=NC(=CC=N2)C3=CN=CC=C3)NC(=O)C4=CC=C(C=C4)CN5CCN(C)CC5
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)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/5291
Guide to Pharmacology: imatinib
Citations:
  • https://www.sciencedirect.com/science/article/pii/S1931312811003295?via%3Dihub
  • https://www.nature.com/articles/s41598-021-01526-6
  • https://pmc.ncbi.nlm.nih.gov/articles/PMC3684563/
  • https://journals.plos.org/plospathogens/article?id=10.1371/journal.ppat.1003946

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