SARIZOTAN

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Synonyms
Status
Molecule Category Free-form
UNII 467LU0UCUW

Structure

InChI Key HKFMQJUJWSFOLY-OAQYLSRUSA-N
Smiles Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1
InChI
InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H21FN2O
Molecular Weight 348.42
AlogP 4.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 34.15
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 26.0

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 Dopamine receptor
- - - 19.05 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
77.62 - - 2.239 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
77.62 - - - -
Rattus norvegicus
- - - 2.239-19.05 -

Cross References

Resources Reference
ChEMBL CHEMBL220808
DrugBank DB06454
FDA SRS 467LU0UCUW
PubChem 6918388
SureChEMBL SCHEMBL120080
ZINC ZINC000000021067
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