EDARAVONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N07XX14
UNII S798V6YJRP
EPA CompTox DTXSID9021130

Structure

InChI Key QELUYTUMUWHWMC-UHFFFAOYSA-N
Smiles CC1=NN(c2ccccc2)C(=O)C1
InChI
InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10N2O
Molecular Weight 174.2
AlogP 1.8
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 32.67
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 7.29
Enzyme Phosphatase
- - - - 15-29
Membrane receptor
- - - - 17.2-20.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 1.43-20.1
Oryctolagus cuniculus
- - - - 11.5-42.45
Rattus norvegicus
- - - - 29

Cross References

Resources Reference
ChEBI 31530
ChEMBL CHEMBL290916
DrugBank DB12243
DrugCentral 4156
FDA SRS S798V6YJRP
KEGG C13008
PDB W1P
PubChem 4021
SureChEMBL SCHEMBL4704
ZINC ZINC000018203737
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