Drug Information

Drug General Information
Drug ID
D0S4KP
Former ID
DNC008624
Drug Name
4-(6-Methoxy-3-methylnaphthalen-2-yl)isoquinoline
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529624]
Structure
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2D MOL

3D MOL
Formula
C21H17NO
Canonical SMILES
CC1=C(C=C2C=CC(=CC2=C1)OC)C3=CN=CC4=CC=CC=C43
InChI
1S/C21H17NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-13H,1-2H3
InChIKey
PVTDLLYLEPRYDL-UHFFFAOYSA-N
PubChem Compound ID
25034427
Target and Pathway
Target(s) Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [529624]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
PathWhiz Pathway Steroidogenesis
Reactome Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Oxidation by Cytochrome P450
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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