Structure

InChI Key QDLVYMYXOLGZOD-ZMBIFBSDSA-N
Smiles 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

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

Target Conservation

Protein: Serotonin 1a (5-HT1a) receptor

Description: 5-hydroxytryptamine receptor 1A

Organism : Homo sapiens

P08908 ENSG00000178394
Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295
Protein: Dopamine D4 receptor

Description: D(4) dopamine receptor

Organism : Homo sapiens

P21917 ENSG00000069696
Protein: Dopamine D3 receptor

Description: D(3) dopamine receptor

Organism : Homo sapiens

P35462 ENSG00000151577

Cross References

Resources Reference
ChEMBL CHEMBL2146110
FDA SRS 5P71E6YO9H
PubChem 6918387
SureChEMBL SCHEMBL1685487