Structure

InChI Key VNLMRPAWAMPLNZ-UHFFFAOYSA-N
Smiles C=CCC1(CC(C)O)C(=O)NC(=O)NC1=O
InChI
InChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2O4
Molecular Weight 226.23
AlogP -0.31
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 95.5
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Diamine oxidase activator ACTIVATOR PubMed

Target Conservation

Protein: Diamine oxidase

Description: Amiloride-sensitive amine oxidase [copper-containing]

Organism : Homo sapiens

P19801 ENSG00000002726
Protein: Monoamine oxidase A

Description: Amine oxidase [flavin-containing] A

Organism : Homo sapiens

P21397 ENSG00000189221

Related Entries

Cross References

Resources Reference
ChEBI 134928
ChEMBL CHEMBL2105233
DrugBank DB13253
DrugCentral 2322
FDA SRS F97OMS297F
PubChem 17336
SureChEMBL SCHEMBL715014