Structure

InChI Key SPFVHFBNXPARTR-IDMXKUIJSA-N
Smiles CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC.Cl.O
InChI
InChI=1S/C16H23BrN2O3.ClH.H2O/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3;;/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20);1H;1H2/t11-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26BrClN2O4
Molecular Weight 425.75
AlogP 2.68
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 50.8
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST PubMed PubMed PubMed PubMed PubMed

Target Conservation

Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295

Cross References

Resources Reference
ChEMBL CHEMBL3989556
FDA SRS MH4OU8RWCW
PubChem 60678
SureChEMBL SCHEMBL122728