Drug Information

Drug General Information
Drug ID
D06CWR
Former ID
DNC008625
Drug Name
4-(6-Methoxynaphthalen-2-yl)isoquinoline
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529624]
Formula
C20H15NO
Canonical SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C3=CN=CC4=CC=CC=C43
InChI
1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3
InChIKey
SGBOBLSELUHWRG-UHFFFAOYSA-N
PubChem Compound ID
24754344
Target and Pathway
Target(s) Cytochrome P450 3A4 Target Info Inhibitor [529624]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [529624]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Linoleic acid metabolism
Retinol metabolism
Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Drug metabolism - other enzymes
Metabolic pathways
Bile secretion
Chemical carcinogenesishsa00140:Steroid hormone biosynthesis
PathWhiz Pathway Caffeine Metabolism
Retinol MetabolismPW000141:Steroidogenesis
Reactome Xenobiotics
Aflatoxin activation and detoxificationR-HSA-194002:Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Aflatoxin B1 metabolism
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Vitamin D Receptor Pathway
Felbamate Metabolism
Lidocaine metabolism
Nifedipine Activity
Colchicine Metabolic Pathway
Irinotecan Pathway
Drug Induction of Bile Acid Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine MetabolismWP702:Metapathway biotransformation
Metabolism of steroid hormones and vitamin D
Corticotropin-releasing hormone
References
Ref 529624J Med Chem. 2008 Aug 28;51(16):5064-74. Epub 2008 Aug 1.Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization onpotency and selectivity.
Ref 529624J Med Chem. 2008 Aug 28;51(16):5064-74. Epub 2008 Aug 1.Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization onpotency and selectivity.

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