ETHOTOIN

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N03AB01
UNII 46QG38NC4U
EPA CompTox DTXSID6023020

Structure

InChI Key SZQIFWWUIBRPBZ-UHFFFAOYSA-N
Smiles CCN1C(=O)NC(c2ccccc2)C1=O
InChI
InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12N2O2
Molecular Weight 204.23
AlogP 1.3
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 49.41
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Sodium channel alpha subunit blocker BLOCKER PubMed PubMed FDA

Target Conservation

Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 1 subunit alpha
Organism : Homo sapiens
P35498 ENSG00000144285
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 4 subunit alpha
Organism : Homo sapiens
P35499 ENSG00000007314
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 9 subunit alpha
Organism : Homo sapiens
Q15858 ENSG00000169432
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 2 subunit alpha
Organism : Homo sapiens
Q99250 ENSG00000136531
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 3 subunit alpha
Organism : Homo sapiens
Q9NY46 ENSG00000153253
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 11 subunit alpha
Organism : Homo sapiens
Q9UI33 ENSG00000168356
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 8 subunit alpha
Organism : Homo sapiens
Q9UQD0 ENSG00000196876
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 10 subunit alpha
Organism : Homo sapiens
Q9Y5Y9 ENSG00000185313

Cross References

Resources Reference
ChEBI 4888
ChEMBL CHEMBL1095
DrugBank DB00754
DrugCentral 1088
FDA SRS 46QG38NC4U
Human Metabolome Database HMDB0014892
Guide to Pharmacology 7183
KEGG C07839
PharmGKB PA164768735
PubChem 3292
SureChEMBL SCHEMBL34301
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