Structure

InChI Key HAPOVYFOVVWLRS-UHFFFAOYSA-N
Smiles CCC1(C)CC(=O)NC1=O
InChI
InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11NO2
Molecular Weight 141.17
AlogP 0.45
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 46.17
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Voltage-gated T-type calcium channel blocker BLOCKER PubMed PubMed Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 102.86-137.47
Mus musculus
- - - - 64-75
Vibrio harveyi
- - - - 0-43

Cross References

Resources Reference
ChEBI 4887
ChEMBL CHEMBL696
DrugBank DB00593
DrugCentral 1087
FDA SRS 5SEH9X1D1D
Human Metabolome Database HMDB0014731
Guide to Pharmacology 7182
KEGG C07505
PharmGKB PA449533
PubChem 3291
SureChEMBL SCHEMBL34212
ZINC ZINC01530806