Drug Information

Drug General Information
Drug ID
D0GL0L
Former ID
DNC007308
Drug Name
1-(9-phenyl-9H-fluoren-9-yl)-1H-1,2,4-triazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Structure
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2D MOL

3D MOL
Formula
C21H15N3
Canonical SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)N5C=NC=N5
InChI
1S/C21H15N3/c1-2-8-16(9-3-1)21(24-15-22-14-23-24)19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-15H
InChIKey
KVOFEYRUEAXEJQ-UHFFFAOYSA-N
PubChem Compound ID
11232117
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [529860]
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 529860J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.
Ref 529860J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.

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