Structure

InChI Key FBSMERQALIEGJT-UHFFFAOYSA-N
Smile CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChI
InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20Cl2N2S
Molecular Weight 355.33
AlogP 4.89
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST D2-like dopamine receptor antagonist ISBN PubMed Wikipedia

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Reference
Mental Disorders; Porphyria, Acute Intermittent; Porphyrias; Psychomotor Agitation; Psychotic Disorders; Vomiting Phase 1 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
19.47
Psychiatric disorders
19.08
General disorders and administration site conditions
10.79
Investigations
6.56
Injury, poisoning and procedural complications
6.23
Musculoskeletal and connective tissue disorders
4.56
Metabolism and nutrition disorders
3.95
Respiratory, thoracic and mediastinal disorders
3.56
Blood and lymphatic system disorders
3.11
Eye disorders
2.73
Cardiac disorders
2.56
Vascular disorders
2.56
Skin and subcutaneous tissue disorders
2.5
Gastrointestinal disorders
2.39
Infections and infestations
2.39

Cross References

Resources Reference
ChEBI 3649
ChEMBL CHEMBL1713
EPA CompTox DTXSID7024827
FDA SRS 9WP59609J6
Guide to Pharmacology 83
KEGG C07952
PDB Z80
PubChem 6240
SureChEMBL SCHEMBL41771
ZINC ZINC00044027