Structure

InChI Key YVPUUUDAZYFFQT-UHFFFAOYSA-N
Smile CN1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChI
InChI=1S/C12H15N3O2/c1-14-5-7-15(8-6-14)10-4-2-3-9-11(10)17-12(16)13-9/h2-4H,5-8H2,1H3,(H,13,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15N3O2
Molecular Weight 233.27
AlogP 0.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 52.48
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Dopamine receptors; D2 & D3 partial agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 3 D010300 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 269718-84-5
ChEMBL CHEMBL2103832
DrugBank DB12061
FDA SRS 5R72CHP32S
PubChem 6918525
SureChEMBL SCHEMBL805311
ZINC ZINC000000008736