Drug Information

Drug General Information
Drug ID
D0R2YN
Former ID
DNC009932
Drug Name
NSC-122427
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530190]
Formula
C18H20O3S
Canonical SMILES
CCC(C1=CC=C(C=C1)OC(=O)C)C(=C2C=CC(=O)S2)CC
InChI
1S/C18H20O3S/c1-4-15(16(5-2)17-10-11-18(20)22-17)13-6-8-14(9-7-13)21-12(3)19/h6-11,15H,4-5H2,1-3H3/b17-16-
InChIKey
CYZIBHGLFHMMJY-MSUUIHNZSA-N
PubChem Compound ID
5994480
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [530190]
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 530190Eur J Med Chem. 2009 Oct;44(10):4121-7. Epub 2009 May 19.An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors.
Ref 530190Eur J Med Chem. 2009 Oct;44(10):4121-7. Epub 2009 May 19.An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors.

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