Soticlestat
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Soticlestat
- DrugBank Accession Number
- DB16987
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 373.456
Monoisotopic: 373.179026993 - Chemical Formula
- C23H23N3O2
- Synonyms
- Not Available
- External IDs
- OV-935
- OV935
- TAK-935
- TAK935
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ACholesterol 24-hydroxylase inhibitorHumans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 1766MU795L
- CAS number
- 1429505-03-2
- InChI Key
- XKUZMIUSBMCVPP-UHFFFAOYSA-N
- 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
- IUPAC Name
- 4-benzyl-1-{[2,4'-bipyridine]-3-carbonyl}piperidin-4-ol
- SMILES
- OC1(CC2=CC=CC=C2)CCN(CC1)C(=O)C1=CC=CN=C1C1=CC=NC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 68007185
- ChEMBL
- CHEMBL4298172
- PDBe Ligand
- YBS
- PDB Entries
- 7lrl
Clinical Trials
- Clinical Trials
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Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Completed Treatment Dravet Syndrome (DS) 1 somestatus stop reason just information to hide 3 Completed Treatment Lennox-Gastaut Syndrome 1 somestatus stop reason just information to hide 3 Recruiting Treatment Dravet Syndrome (DS) / Lennox-Gastaut Syndrome 1 somestatus stop reason just information to hide 3 Terminated Treatment Dravet Syndrome (DS) / Lennox-Gastaut Syndrome 1 somestatus stop reason just information to hide 2 Active Not Recruiting Treatment Dravet Syndrome (DS) / Epilepsy / Lennox-Gastaut Syndrome 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.071 mg/mL ALOGPS logP 2.11 ALOGPS logP 2.12 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 14.58 Chemaxon pKa (Strongest Basic) 3.91 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 66.32 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 108.36 m3·mol-1 Chemaxon Polarizability 40.62 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsCholesterol 24-hydroxylase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- P450 monooxygenase that plays a major role in cholesterol homeostasis in the brain. Primarily catalyzes the hydroxylation (with S stereochemistry) at C-24 of cholesterol side chain, triggering cholesterol diffusion out of neurons and its further degradation (PubMed:10377398, PubMed:14640697, PubMed:18621681, PubMed:25017465). By promoting constant cholesterol elimination in neurons, may activate the mevalonate pathway and coordinate the synthesis of new cholesterol and nonsterol isoprenoids involved in synaptic activity and learning (By similarity). Further hydroxylates cholesterol derivatives and hormone steroids on both the ring and side chain of these molecules, converting them into active oxysterols involved in lipid signaling and biosynthesis (PubMed:12077124, PubMed:14640697, PubMed:28190002). Acts as an epoxidase converting cholesta-5,24-dien-3beta-ol/desmosterol into (24S),25-epoxycholesterol, an abundant lipid ligand of nuclear NR1H2 and NR1H3 receptors shown to promote neurogenesis in developing brain (PubMed:25017465). May also catalyze the oxidative metabolism of xenobiotics, such as clotrimazole (PubMed:20667828)
- Specific Function
- cholesterol 24-hydroxylase activity
- Gene Name
- CYP46A1
- Uniprot ID
- Q9Y6A2
- Uniprot Name
- Cholesterol 24-hydroxylase
- Molecular Weight
- 56820.535 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at September 16, 2022 23:17 / Updated at August 27, 2024 19:17