Compound ID | 3553

Update compound information

NTB-3119

Class: Mycolic acid synthesis inhibitor (DprE1 inhibitor)

Details of activity: Active against Mycobacterium tuberculosis including multidrug- and extensively drug-resistant strains; DprE1 inhibitor
Description: Synthetic compound; benzothiopyranone compound derived from benzothiazone; shows low cytotoxicity (IC50 > 64 mg/L vs MIC <0.002 mg/L)
Year first mentioned: 2018
Development status: Experimental
Chemical structure(s):
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Molecular weight: 455.5
Iso. SMILES: C1CCC(CC1)CN2CCN(CC2)C3=CC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]
InChI Key: LKTGKSLRRVEZFI-UHFFFAOYSA-N
Can. SMILES: C1CCC(CC1)CN2CCN(CC2)C3=CC(=O)C4=CC(=CC(=C4S3)[N+](=O)[O-])C(F)(F)F
InChI: InChI=1S/C21H24F3N3O3S/c22-21(23,24)15-10-16-18(28)12-19(31-20(16)17(11-15)27(29)30)26-8-6-25(7-9-26)13-14-4-2-1-3-5-14/h10-12,14H,1-9,13H2
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/141730928
Citations:
  • https://www.newtbdrugs.org/pipeline/compound/ntb-3119
  • https://www.sciencedirect.com/science/article/pii/S0223523418308146
  • https://pubmed.ncbi.nlm.nih.gov/36435083/

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