Compound ID | 3556

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TB47

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Antimycobacterial
Mechanism of action: Cytochrome bcc complex inhibitor (cytochrome b subunit of complex III inhibitor); QcrB inhibitor
Target Pathogen: Active against Mycobacterium tuberculosis including multidrug-resistant strains
Description: Synthetic compound; high selectivity index against THP-1, VERO, and HepG2 cell lines; high oral bioavailability in rats; shows synergistic effects with rifampicin and pyrazinamide
Year first mentioned: 2015
Highest development stage: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 538.56
Iso. SMILES: CC1=NN2C=CC(=CC2=C1C(=O)NCC3=CC=C(C=C3)N4CCC(CC4)C5=CC=C(C=C5)OC(F)(F)F)OC
InChI Key: HQECXZKIRDUGLC-UHFFFAOYSA-N
Can. SMILES: CC1=NN2C=CC(=CC2=C1C(=O)NCC3=CC=C(C=C3)N4CCC(CC4)C5=CC=C(C=C5)OC(F)(F)F)OC
InChI: InChI=1S/C29H29F3N4O3/c1-19-27(26-17-25(38-2)13-16-36(26)34-19)28(37)33-18-20-3-7-23(8-4-20)35-14-11-22(12-15-35)21-5-9-24(10-6-21)39-29(30,31)32/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,33,37)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/122188597
Guide to Pharmacology: TB47
Citation: https://journals.asm.org/doi/10.1128/aac.00706-21?url_ver=Z39.88-2003&rfr_id=ori%3Arid%3Acrossref.org&rfr_dat=cr_pub++0pubmed

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