Drug General Information
Drug ID
D0O0BL
Former ID
DNC005111
Drug Name
2-Phenyl-4-[1,2,4]triazol-1-yl-chroman-7-ol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527222]
Structure
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2D MOL

3D MOL

Formula
C17H15N3O2
Canonical SMILES
C1C(C2=C(C=C(C=C2)O)OC1C3=CC=CC=C3)N4C=NC=N4
InChI
1S/C17H15N3O2/c21-13-6-7-14-15(20-11-18-10-19-20)9-16(22-17(14)8-13)12-4-2-1-3-5-12/h1-8,10-11,15-16,21H,9H2
InChIKey
FDEHVWXURCBTAP-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [527222]
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 527222Bioorg Med Chem Lett. 2004 Oct 18;14(20):5215-8.Synthesis and evaluation of 4-triazolylflavans as new aromatase inhibitors.
Ref 527222Bioorg Med Chem Lett. 2004 Oct 18;14(20):5215-8.Synthesis and evaluation of 4-triazolylflavans as new aromatase inhibitors.

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