Drug Information

Drug General Information
Drug ID
D0I2UE
Former ID
DNC010866
Drug Name
4-Imidazol-1-ylmethylthioxanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551345]
Structure
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2D MOL

3D MOL
Formula
C17H12N2OS
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(S2)C(=CC=C3)CN4C=CN=C4
InChI
1S/C17H12N2OS/c20-16-13-5-1-2-7-15(13)21-17-12(4-3-6-14(16)17)10-19-9-8-18-11-19/h1-9,11H,10H2
InChIKey
QHPHZBRQVQYOFQ-UHFFFAOYSA-N
PubChem Compound ID
46867543
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [551345]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
References
Ref 551345Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation. J Med Chem. 2010 Jul 22;53(14):5347-51. doi: 10.1021/jm100319h.
Ref 551345Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation. J Med Chem. 2010 Jul 22;53(14):5347-51. doi: 10.1021/jm100319h.

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