LANDIPIRDINE

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Synonyms
Status
Molecule Category Free-form
UNII J0NX985GDI

Structure

InChI Key MTTHRRVVGMPYQG-ZDUSSCGKSA-N
Smiles NC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChI
InChI=1S/C18H19FN2O3S/c19-14-5-2-6-15(10-14)25(23,24)16-7-8-17-12(9-16)3-1-4-13(17)11-21-18(20)22/h2,5-10,13H,1,3-4,11H2,(H3,20,21,22)/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19FN2O3S
Molecular Weight 362.43
AlogP 2.75
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 89.26
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

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 Serotonin receptor
- - - 0.1995 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.1995 -

Cross References

Resources Reference
ChEMBL CHEMBL1082508
DrugBank DB16214
FDA SRS J0NX985GDI
PubChem 46220503
SureChEMBL SCHEMBL315956
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