Structure

InChI Key BNQDCRGUHNALGH-UHFFFAOYSA-N
Smile NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
InChI
InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N3O5
Molecular Weight 257.25
AlogP -1.76
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 5.0
Polar Surface Area 148.07
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DOPA decarboxylase inhibitor PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 2400 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 3 D010300 ClinicalTrials
Restless Legs Syndrome 3 D012148 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 322-35-0
ChEBI 64187
ChEMBL CHEMBL1096979
DrugBank DB12783
DrugCentral 314
EPA CompTox DTXSID9022651
FDA SRS 762OS3ZEJU
Guide to Pharmacology 5150
PharmGKB PA165360203
PubChem 2327
SureChEMBL SCHEMBL34522