Drug Information

Drug General Information
Drug ID
D0P5ZV
Former ID
DNC009930
Drug Name
NSC-94891
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530190]
Structure
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2D MOL

3D MOL
Formula
C19H26O3
Canonical SMILES
CC1C2C3CCC(=O)C3(CCC2C4(CCC(=O)C=C1O4)C)C
InChI
1S/C19H26O3/c1-11-15-10-12(20)6-9-19(3,22-15)14-7-8-18(2)13(17(11)14)4-5-16(18)21/h10-11,13-14,17H,4-9H2,1-3H3/t11-,13-,14-,17-,18-,19?/m0/s1
InChIKey
PCQJXIDDNRAKDR-HXWRFABVSA-N
PubChem Compound ID
261861
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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