FLUSPIRILENE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05AG01
UNII: C5QA4GLR9M

Structure
InChI Key QOYHHIBFXOOADH-UHFFFAOYSA-N
Smile O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChI
InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H31F2N3O
Molecular Weight 475.58
AlogP 5.31
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 35.58
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Glycine receptor
1200 - - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 2300 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - 500 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - 96
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1188 -

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

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1841-19-6
ChEBI 93369
ChEMBL CHEMBL46516
DrugBank DB04842
DrugCentral 1222
EPA CompTox DTXSID7045152
FDA SRS C5QA4GLR9M
Human Metabolome Database HMDB0015590
Guide to Pharmacology 85
PharmGKB PA162565878
PubChem 3396
SureChEMBL SCHEMBL42082
ZINC ZINC000000537755
CONTENTS