Structure

InChI Key VOMKSBFLAZZBOW-UHFFFAOYSA-N
Smile CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O
InChI
InChI=1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C39H57FN4O4
Molecular Weight 664.91
AlogP 9.11
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 19.0
Polar Surface Area 90.46
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 48.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D2 receptor antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 4 D012559 ClinicalTrials
Psychotic Disorders 4 D011618 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
18.37
General disorders and administration site conditions
15.09
Injury, poisoning and procedural complications
13.63
Nervous system disorders
11.75
Reproductive system and breast disorders
5.12
Investigations
5.11
Endocrine disorders
5.04
Metabolism and nutrition disorders
2.89
Musculoskeletal and connective tissue disorders
2.7
Skin and subcutaneous tissue disorders
2.52
Vascular disorders
2.29
Cardiac disorders
2.25

Cross References

Resources Reference
ChEBI 83808
ChEMBL CHEMBL2107360
DrugCentral 4498
EPA CompTox DTXSID70870217
FDA SRS R8P8USM8FR
PubChem 9852746
SureChEMBL SCHEMBL1871384