Structure

InChI Key RIULCFSTKRDHBX-UHFFFAOYSA-N
Smile CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl
InChI
InChI=1S/C21H24F3N3S.ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;/h2-3,5-8,15H,4,9-14H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26Cl2F3N3S
Molecular Weight 480.43
AlogP 4.95
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 9.72
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
28.6
Nervous system disorders
19.5
Psychiatric disorders
17.19
Musculoskeletal and connective tissue disorders
7.27
Injury, poisoning and procedural complications
6.61
Cardiac disorders
3.97
Respiratory, thoracic and mediastinal disorders
3.31
Skin and subcutaneous tissue disorders
3.14
Gastrointestinal disorders
2.81

Cross References

Resources Reference
ChEBI 9710
ChEMBL CHEMBL1257040
EPA CompTox DTXSID1045085
FDA SRS 6P1Y2SNF5V
Guide to Pharmacology 214
KEGG C07168
PDB TFP
PubChem 66064
SureChEMBL SCHEMBL341516
ZINC ZINC19418959