Drug Information

Drug General Information
Drug ID
D01SLA
Former ID
DNC013429
Drug Name
ETHISTERONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528526]
Structure
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2D MOL

3D MOL
Formula
C21H28O2
Canonical SMILES
C1CNCCC1C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
1S/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2
InChIKey
FWPAVENSJPMGJO-UHFFFAOYSA-N
CAS Number
CAS 434-03-7
PubChem Compound ID
3288
SuperDrug ATC ID
G03DC04
Target and Pathway
Target(s) Tyrosine oxidase Target Info Inhibitor [528526]
BioCyc Pathway (S)-reticuline biosynthesis
Eumelanin biosynthesis
L-dopachrome biosynthesis
KEGG Pathway Tyrosine metabolism
Riboflavin metabolism
Metabolic pathways
Melanogenesis
PathWhiz Pathway Riboflavin Metabolism
Tyrosine Metabolism
WikiPathways Dopamine metabolism
References
Ref 528526Bioorg Med Chem. 2007 Feb 1;15(3):1483-503. Epub 2006 Nov 2.TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices.
Ref 528526Bioorg Med Chem. 2007 Feb 1;15(3):1483-503. Epub 2006 Nov 2.TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices.

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