Structure

InChI Key QDLVYMYXOLGZOD-ZMBIFBSDSA-N
Smile Cl.Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1
InChI
InChI=1S/C22H21FN2O.ClH/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21;/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2;1H/t21-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22ClFN2O
Molecular Weight 384.88
AlogP 4.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 34.15
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Dopamine D2 receptor partial agonist

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Movement Disorders 2 D009069 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2146110
EPA CompTox DTXSID60173163
FDA SRS 5P71E6YO9H
PubChem 11485946
SureChEMBL SCHEMBL1685487