IDALOPIRDINE

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Synonyms
Status
Molecule Category Free-form
UNII 59WCJ0YNWM

Structure

InChI Key YBAWYTYNMZWMMJ-UHFFFAOYSA-N
Smiles Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1
InChI
InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19F5N2O
Molecular Weight 398.38
AlogP 4.92
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 37.05
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 6 (5-HT6) receptor antagonist ANTAGONIST PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 6
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 0.83-791 88-106
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.83-791 6-106
Rattus norvegicus
- - - 0.83 -

Target Conservation

Protein: Serotonin 6 (5-HT6) receptor
Description: 5-hydroxytryptamine receptor 6
Organism : Homo sapiens
P50406 ENSG00000158748

Cross References

Resources Reference
ChEMBL CHEMBL3286580
DrugBank DB11957
FDA SRS 59WCJ0YNWM
Guide to Pharmacology 8689
PubChem 21071390
SureChEMBL SCHEMBL762762
ZINC ZINC000095936819
CONTENTS