Drug Information

Drug General Information
Drug ID
D08AAP
Former ID
DNC008691
Drug Name
NSC-75308
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Structure
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2D MOL

3D MOL
Formula
C18H14Cl2N4O
Canonical SMILES
COC1=CC=C(C=C1)C(=NNC2=CN=NC(=C2Cl)Cl)C3=CC=CC=C3
InChI
1S/C18H14Cl2N4O/c1-25-14-9-7-13(8-10-14)17(12-5-3-2-4-6-12)23-22-15-11-21-24-18(20)16(15)19/h2-11H,1H3,(H,22,24)/b23-17+
InChIKey
XOZNAUCJQWYKHM-HAVVHWLPSA-N
PubChem Compound ID
6415854
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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