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):
Canonical SMILES:	C1CCC(CC1)CN2CCN(CC2)C3=CC(=O)C4=CC(=CC(=C4S3)[N+](=O)[O-])C(F)(F)F
Isomeric SMILES:	C1CCC(CC1)CN2CCN(CC2)C3=CC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]
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
InChI Key:	LKTGKSLRRVEZFI-UHFFFAOYSA-N

External links:
Structure link:	https://pubchem.ncbi.nlm.nih.gov/compound/141730928
Main Source:	https://pubmed.ncbi.nlm.nih.gov/36435083/
Citations:	https://www.newtbdrugs.org/pipeline/compound/ntb-3119 https://www.sciencedirect.com/science/article/pii/S0223523418308146