FLUSPIRILENE

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Synonyms
Status
Molecule Category Free-form
ATC N05AG01
UNII C5QA4GLR9M
EPA CompTox DTXSID7045152

Structure

InChI Key QOYHHIBFXOOADH-UHFFFAOYSA-N
Smiles 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(%)
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
- - - 151.4 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 151.4-500 -

Cross References

Resources Reference
ChEBI 93369
ChEMBL CHEMBL46516
DrugBank DB04842
DrugCentral 1222
FDA SRS C5QA4GLR9M
Human Metabolome Database HMDB0015590
Guide to Pharmacology 85
PharmGKB PA162565878
PubChem 3396
SureChEMBL SCHEMBL42082
ZINC ZINC000000537755
CONTENTS