Structure

InChI Key DSKIOWHQLUWFLG-SPIKMXEPSA-N
Smiles CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C20H24ClN3S.2C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H32ClN3O8S
Molecular Weight 606.1
AlogP 4.58
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 9.72
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST ISBN DailyMed

Target Conservation

Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295

Cross References

Resources Reference
ChEBI 8436
ChEMBL CHEMBL1314751
FDA SRS I1T8O1JTL6
Guide to Pharmacology 7279
KEGG C07403
PDB P77
PubChem 5281032
SureChEMBL SCHEMBL40755
ZINC ZINC19796018