Trade Names:
Synonyms:
Status: Approved (2016)
Entry Type: Small molecule
Molecule Category: Salt
UNII: NA83F1SJSR
Parent Compound: PIMAVANSERIN

Structure

InChI Key RGSULKHNAKTFIZ-UHFFFAOYSA-N
Smile CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/2C25H34FN3O2.C4H6O6/c2*1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;5-1(3(7)8)2(6)4(9)10/h2*4-11,19,23H,12-18H2,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C54H74F2N6O10
Molecular Weight 1005.21
AlogP 4.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 44.81
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INVERSE AGONIST Serotonin 2a (5-HT2a) receptor inverse agonist PubMed PubMed Wikipedia Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 4 D010300 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
25.25
Nervous system disorders
19.14
General disorders and administration site conditions
17.42
Injury, poisoning and procedural complications
9.51
Gastrointestinal disorders
4.38
Musculoskeletal and connective tissue disorders
4.34
Cardiac disorders
3.72
Respiratory, thoracic and mediastinal disorders
2.59
Vascular disorders
2.48

Cross References

Resources Reference
ChEMBL CHEMBL2448613
FDA SRS NA83F1SJSR
PubChem 11672491
SureChEMBL SCHEMBL19975532