Structure

InChI Key VIQCGTZFEYDQMR-UHFFFAOYSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
20.74
Psychiatric disorders
14.89
General disorders and administration site conditions
12.77
Cardiac disorders
12.23
Injury, poisoning and procedural complications
5.85
Respiratory, thoracic and mediastinal disorders
5.85
Gastrointestinal disorders
5.32
Vascular disorders
3.72
Investigations
3.19
Musculoskeletal and connective tissue disorders
3.19
Metabolism and nutrition disorders
2.66

Cross References

Resources Reference
ChEBI 5124
ChEMBL CHEMBL1200854
DrugCentral 1213
EPA CompTox DTXSID7023069
FDA SRS FMU62K1L3C
PubChem 3388
SureChEMBL SCHEMBL41288
ZINC ZINC000022816725