Drug Information

Drug General Information
Drug ID
D06GIV
Former ID
DNC008686
Drug Name
NSC-356483
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Formula
C14H13N3O2
Canonical SMILES
COC1=CC=C(C=C1)C2=CN=NN2CC3=CC=CO3
InChI
1S/C14H13N3O2/c1-18-12-6-4-11(5-7-12)14-9-15-16-17(14)10-13-3-2-8-19-13/h2-9H,10H2,1H3
InChIKey
LLARZMIDMIEYKJ-UHFFFAOYSA-N
PubChem Compound ID
337660
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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