Drug Information

Drug General Information
Drug ID
D0GJ7J
Former ID
DNC004441
Drug Name
ISOCONAZOLE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526632]
Structure
Download
2D MOL

3D MOL
Formula
C18H14Cl4N2O
Canonical SMILES
C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2
InChIKey
MPIPASJGOJYODL-UHFFFAOYSA-N
CAS Number
CAS 27523-40-6
PubChem Compound ID
3760
SuperDrug ATC ID
D01AC05; G01AF07
Target and Pathway
Target(s) 17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [526632]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
Prolactin signaling pathway
PathWhiz Pathway Androgen and Estrogen Metabolism
Steroidogenesis
Reactome Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Steroid Biosynthesis
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Glucocorticoid & Mineralcorticoid Metabolism
Prostate Cancer
Phase 1 - Functionalization of compounds
References
Ref 526632J Med Chem. 2003 Jun 5;46(12):2345-51.Three dimensional pharmacophore modeling of human CYP17 inhibitors. Potential agents for prostate cancer therapy.
Ref 526632J Med Chem. 2003 Jun 5;46(12):2345-51.Three dimensional pharmacophore modeling of human CYP17 inhibitors. Potential agents for prostate cancer therapy.

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