Drug details:
Molecular formula: C₁₁H₆N₄O₄S

Standard name: 7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole

Synonyms:

7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole 2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)pyridine 1-oxide 2-[(7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio]pyridine 1-oxide 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]pyridin-1-ium-1-olate 2-(7-Nitrobenzo[c][1,2,5]oxadiazol-4-ylthio)pyridine 1-oxide 4-nitro-7-[(1-oxidopyridin-2-yl)sulfanyl]-2,1,3-benzoxadiazole 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidopyridin-1-ium

Curated SMILES: C1=CC=[N+](C(=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-]

Evidence for compound's anti-virulence activity:

Bordetella
Related VF: Ptx (Pertussis toxin)
Target: PtxS1
Drug effect: Inhibits the ADP-ribosyltransferase activity pertussis AB5 holotoxin by binding at the NAD+-binding pocket of PtxS1.
Max phase: Preclinical (in vitro)
Publication:
Ashok Y, et al., 2020. Discovery of Compounds Inhibiting the ADP-Ribosyltransferase Activity of Pertussis Toxin. ACS Infect Dis 6(4):588-602.