Structure

InChI Key BVUSNQJCSYDJJG-UHFFFAOYSA-N
Smile CC(O)C(=O)O.O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChI
InChI=1S/C21H23ClFNO2.C3H6O3/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;1-2(4)3(5)6/h3-10,26H,1-2,11-15H2;2,4H,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29ClFNO5
Molecular Weight 465.95
AlogP 4.43
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 40.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INVERSE AGONIST D2-like dopamine receptor inverse agonist ISBN PubMed Wikipedia

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psychotic Disorders 3 D011618 ClinicalTrials
Psychomotor Agitation 3 D011595 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
20.18
Psychiatric disorders
17.27
General disorders and administration site conditions
11.73
Injury, poisoning and procedural complications
10.99
Musculoskeletal and connective tissue disorders
5.04
Investigations
4.13
Cardiac disorders
3.8
Gastrointestinal disorders
3.71
Respiratory, thoracic and mediastinal disorders
3.24
Vascular disorders
2.74
Metabolism and nutrition disorders
2.52

Cross References

Resources Reference
ChEMBL CHEMBL4297147
FDA SRS 6387S86PK3
PubChem 16051968
SureChEMBL SCHEMBL42239