Structure

InChI Key LOQSYPGSAZUDJZ-UHFFFAOYSA-N
Smile CS(=O)(=O)O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
InChI
InChI=1S/C21H21ClN4OS.CH4O3S/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;1-5(2,3)4/h1-4,11,13H,5-10,12H2,(H,23,27);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H31ClN4O7S2
Molecular Weight 563.1
AlogP 3.81
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 48.47
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D2 receptor antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
18.12
Psychiatric disorders
18.12
General disorders and administration site conditions
14.35
Gastrointestinal disorders
7.53
Injury, poisoning and procedural complications
6.35
Cardiac disorders
4.94
Immune system disorders
4.94
Investigations
4.24
Vascular disorders
3.53
Endocrine disorders
3.06
Metabolism and nutrition disorders
2.82
Musculoskeletal and connective tissue disorders
2.59
Skin and subcutaneous tissue disorders
2.35

Cross References

Resources Reference
ChEBI 53757
ChEMBL CHEMBL3989833
FDA SRS 3X6SAX83JZ
PubChem 656685
SureChEMBL SCHEMBL957178