Drug Information

Drug General Information
Drug ID
D07PHT
Former ID
DNC008681
Drug Name
NSC-289311
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Formula
C18H16Cl2N2OS
Canonical SMILES
COC1=CC=C(C=C1)C(CN2C=CN=C2)SC3=CC(=C(C=C3)Cl)Cl.C(=O)(<br />C(=O)O)O
InChI
1S/C18H16Cl2N2OS.C2H2O4/c1-23-14-4-2-13(3-5-14)18(11-22-9-8-21-12-22)24-15-6-7-16(19)17(20)10-15;3-1(4)2(5)6/h2-10,12,18H,11H2,1H3;(H,3,4)(H,5,6)
InChIKey
MSIXIAUYGGBRKL-UHFFFAOYSA-N
PubChem Compound ID
324288
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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