SOTICLESTAT

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Synonyms
Status
Molecule Category Free-form
UNII 1766MU795L

Structure

InChI Key XKUZMIUSBMCVPP-UHFFFAOYSA-N
Smiles O=C(c1cccnc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1
InChI
InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23N3O2
Molecular Weight 373.46
AlogP 3.35
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 66.32
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Cholesterol 24-hydroxylase inhibitor INHIBITOR PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 7.4 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 7.4 - - -

Target Conservation

Protein: Cholesterol 24-hydroxylase
Description: Cholesterol 24-hydroxylase
Organism : Homo sapiens
Q9Y6A2 ENSG00000036530

Cross References

Resources Reference
ChEMBL CHEMBL4298172
FDA SRS 1766MU795L
PubChem 73437845
SureChEMBL SCHEMBL14841089
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