modafinil   Click here for help

GtoPdb Ligand ID: 7555

Synonyms: Provigil®
Approved drug
modafinil is an approved drug (FDA (1998))
Compound class: Synthetic organic
Comment: Modafinil is a eugeroic (wakefulness-promoting) drug with a multi-faceted mechanism of action. In some jurisdictions this drug is classified as a controlled substance due to its possible addiction potential. It has been termed a 'smart' drug, a group of prescription medications, purchased illegally or used off-label, with alleged cognition-enhancing properties [1,4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 79.37
Molecular weight 273.08
XLogP 0.61
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Isomeric SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1998))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6055 modafinil
Synonyms Click here for help
Database Links Click here for help
ChEMBL Ligand CHEMBL1373
DrugBank Ligand DB00745
DrugCentral Ligand 1826
GtoPdb PubChem SID 223365891
PubChem CID 4236
Search Google for chemical match using the InChIKey YFGHCGITMMYXAQ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey YFGHCGITMMYXAQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YFGHCGITMMYXAQ-UHFFFAOYSA-N
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Modafinil (links to external site)
Cat. No. 1811