Drug details:
Molecular formula: C₂₃H₂₀F₃N₃O₄

Standard name: 9,9-dimethyl-6-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Synonyms:

11-{3-nitrophenyl}-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 3,3-dimethyl-11-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 2,2,2-trifluoro-1-[1-hydroxy-3,3-dimethyl-11-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone

Curated SMILES: CC1(C)CC(=O)C2=C(C1)NC1=C(C=CC=C1)N(C(=O)C(F)(F)F)C2C1=CC([N+](=O)[O-])=CC=C1

Evidence for compound's anti-virulence activity:

Clostridium
Related VF: TcdB (Toxin B)
Target: Calcium channels on the plasma membrane
Drug effect: Disrupts of TcdB-induced calcium signaling thus to ablate ROS production and prevent subsequent necrosis.
Max phase: Preclinical (in vitro)
Publication:
Farrow MA, et al., 2020. Small Molecule Inhibitor Screen Reveals Calcium Channel Signaling as a Mechanistic Mediator of Clostridium difficile TcdB-Induced Necrosis. ACS Chem Biol 15(5):1212-1221.