Structure

InChI Key TZFNLOMSOLWIDK-JTQLQIEISA-N
Smiles C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O
InChI
InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2O4
Molecular Weight 226.23
AlogP -0.05
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 115.81
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
DOPA decarboxylase inhibitor INHIBITOR PubMed DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 113.15-134.52

Cross References

Resources Reference
ChEBI 3395
ChEMBL CHEMBL1200748
FDA SRS MNX7R8C5VO
SureChEMBL SCHEMBL1217887
ChEBI 39585
ChEMBL CHEMBL1201236
DrugBank DB00190
DrugCentral 496
FDA SRS KR87B45RGH
Human Metabolome Database HMDB0014336
Guide to Pharmacology 5159
PDB 142
PharmGKB PA448794
SureChEMBL SCHEMBL35084
ZINC ZINC000019168887