MODAFINIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N06BA07
UNII R3UK8X3U3D
EPA CompTox DTXSID0023329

Structure

InChI Key YFGHCGITMMYXAQ-UHFFFAOYSA-N
Smiles NC(=O)C[S+]([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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15NO2S
Molecular Weight 273.36
AlogP 2.01
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 60.16
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Dopamine transporter inhibitor INHIBITOR DailyMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 927 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 95.61-113.68
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 95.61-113.68
Homo sapiens
- - - 927

Target Conservation

Protein: Dopamine transporter
Description: Sodium-dependent dopamine transporter
Organism : Homo sapiens
Q01959 ENSG00000142319

Related Entries

Cross References

Resources Reference
ChEBI 77585
ChEMBL CHEMBL1373
DrugBank DB00745
DrugCentral 1826
FDA SRS R3UK8X3U3D
Human Metabolome Database HMDB0014883
Guide to Pharmacology 7555
KEGG D01832
PharmGKB PA450530
PubChem 4236
SureChEMBL SCHEMBL34488
ZINC ZINC03831139
CONTENTS