Structure

InChI Key LRWSFOSWNAQHHW-UHFFFAOYSA-N
Smile CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChI
InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H38F3N3O2S
Molecular Weight 549.7
AlogP 6.83
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 12.0
Polar Surface Area 36.02
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 38.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 5125
ChEMBL CHEMBL1200951
DrugCentral 1214
EPA CompTox DTXSID6023070
FDA SRS QSB34YF0W9
KEGG C07955
PubChem 3389
SureChEMBL SCHEMBL120793
ZINC ZINC000022446649