SOTICLESTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1766MU795L

Structure
InChI Key XKUZMIUSBMCVPP-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cholesterol 24-hydroxylase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 14000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 62000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 19000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 6600 - - 28
Enzyme Oxidoreductase
- 7.4-7.4 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lennox Gastaut Syndrome 3 D065768 ClinicalTrials
Complex Regional Pain Syndromes 2 D020918 ClinicalTrials
Epilepsy 1 D004827 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

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