INTEPIRDINE

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Synonyms
Status
Molecule Category Free-form
UNII 2IOB2M82HY

Structure

InChI Key JJZFWROHYSMCMU-UHFFFAOYSA-N
Smiles O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1
InChI
InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19N3O2S
Molecular Weight 353.45
AlogP 2.48
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 62.3
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 6 (5-HT6) receptor antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 997-997 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 2.8-97 - 0.166-26 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.8-97 - 0.166-997 -
Rattus norvegicus
- - - 0.234 -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL1083390
DrugBank DB12680
FDA SRS 2IOB2M82HY
Guide to Pharmacology 9444
PubChem 11256720
SureChEMBL SCHEMBL1683964
ZINC ZINC000043199965
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