Structure

InChI Key NZDBKBRIBJLNNT-UHFFFAOYSA-N
Smile Cl.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
InChI
InChI=1S/C21H21ClN4OS.ClH/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;/h1-4,11,13H,5-10,12H2,(H,23,27);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24Cl2N4O2S
Molecular Weight 467.42
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
Bipolar Disorder 4 D001714 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
21.27
Nervous system disorders
18.49
General disorders and administration site conditions
15.03
Injury, poisoning and procedural complications
5.48
Musculoskeletal and connective tissue disorders
5.12
Gastrointestinal disorders
4.47
Investigations
4.42
Respiratory, thoracic and mediastinal disorders
3.53
Skin and subcutaneous tissue disorders
3.2
Immune system disorders
2.71
Cardiac disorders
2.7
Metabolism and nutrition disorders
2.64
Vascular disorders
2.13

Cross References

Resources Reference
ChEBI 32314
ChEMBL CHEMBL1375743
EPA CompTox DTXSID00160855
FDA SRS 216X081ORU
Guide to Pharmacology 59
KEGG C07568
PubChem 60853
SureChEMBL SCHEMBL122875
ZINC ZINC00538550