Structure

InChI Key VIQCGTZFEYDQMR-UHFFFAOYSA-N
Smiles CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChI
InChI=1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H44F3N3O2S
Molecular Weight 591.78
AlogP 8.0
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 15.0
Polar Surface Area 36.02
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 41.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST PubMed PubMed PubMed Wikipedia
Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295

Related Entries

Cross References

Resources Reference
ChEBI 5124
ChEMBL CHEMBL1200854
DrugCentral 1213
FDA SRS FMU62K1L3C
PubChem 3388
SureChEMBL SCHEMBL41288
ZINC ZINC000022816725