Synonyms
Status
Molecule Category Free-form
ATC N05AD06
UNII LYH6F7I22E
EPA CompTox DTXSID0022690

Structure

InChI Key RKLNONIVDFXQRX-UHFFFAOYSA-N
Smiles O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1
InChI
InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23BrFNO2
Molecular Weight 420.32
AlogP 4.53
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 40.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

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

Target Conservation

Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295

Related Entries

Cross References

Resources Reference
ChEBI 31305
ChEMBL CHEMBL28218
DrugBank DB12401
DrugCentral 407
FDA SRS LYH6F7I22E
PubChem 2448
SureChEMBL SCHEMBL43755
ZINC ZINC000000601270