Structure

InChI Key MBHNWCYEGXQEIT-UHFFFAOYSA-N
Smiles Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChI
InChI=1S/C22H26F3N3OS.2ClH/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;;/h1-2,4-7,16,29H,3,8-15H2;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28Cl2F3N3OS
Molecular Weight 510.45
AlogP 4.31
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 29.95
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

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

Target Conservation

Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295

Cross References

Resources Reference
ChEBI 5126
ChEMBL CHEMBL1448187
FDA SRS ZOU145W1XL
Guide to Pharmacology 204
KEGG C07010
PubChem 67356
SureChEMBL SCHEMBL41634
ZINC ZINC19203912