Trade Names
Synonyms
Status
Molecule Category UNKNOWN
ATC N03AX07
UNII PAI7J52V09
EPA CompTox DTXSID6023442

Structure

InChI Key XPFRXWCVYUEORT-UHFFFAOYSA-N
Smiles NC(=O)NC(=O)Cc1ccccc1
InChI
InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10N2O2
Molecular Weight 178.19
AlogP 0.42
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 72.19
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Sodium channel alpha subunit blocker BLOCKER Expert
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 8049
ChEMBL CHEMBL918
DrugBank DB01121
DrugCentral 2114
FDA SRS PAI7J52V09
Human Metabolome Database HMDB0015253
Guide to Pharmacology 7265
KEGG C07428
PharmGKB PA164745309
PubChem 4753
SureChEMBL SCHEMBL35118
ZINC ZINC000000001916