Drug Information

Drug General Information
Drug ID
D05CND
Former ID
DNC005403
Drug Name
6-(3-Nitro-phenyl)-3H-benzothiazol-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527672]
Formula
C13H8N2O3S
Canonical SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC3=C(C=C2)NC(=O)S3
InChI
1S/C13H8N2O3S/c16-13-14-11-5-4-9(7-12(11)19-13)8-2-1-3-10(6-8)15(17)18/h1-7H,(H,14,16)
InChIKey
NGWRFPUBBONZGG-UHFFFAOYSA-N
PubChem Compound ID
10221123
Target and Pathway
Target(s) Progesterone receptor Target Info Inhibitor [527672]
KEGG Pathway Oocyte meiosis
Progesterone-mediated oocyte maturation
Pathway Interaction Database Cellular roles of Anthrax toxin
Reactome Nuclear signaling by ERBB4
Nuclear Receptor transcription pathway
WikiPathways Ovarian Infertility Genes
Signaling by ERBB4
Nuclear Receptors
References
Ref 527672J Med Chem. 2005 Aug 11;48(16):5092-5.Synthesis and structure-activity relationship of novel 6-aryl-1,4-dihydrobenzo[d][1,3]oxazine-2-thiones as progesterone receptor modulators leading to the potentand selective nonsteroidal progesterone receptor agonist tanaproget.
Ref 527672J Med Chem. 2005 Aug 11;48(16):5092-5.Synthesis and structure-activity relationship of novel 6-aryl-1,4-dihydrobenzo[d][1,3]oxazine-2-thiones as progesterone receptor modulators leading to the potentand selective nonsteroidal progesterone receptor agonist tanaproget.

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