This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Selurampanel
- DrugBank Accession Number
- DB12367
- Background
Selurampanel has been investigated in Adrenocortical Adenoma and Sarcoma, Endometrial Stromal.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Selurampanel (DB12367)
- Weight
- Average: 377.42
Monoisotopic: 377.115775286 - Chemical Formula
- C16H19N5O4S
- Synonyms
- Selurampanel
- External IDs
- BGG-492
- BGG492
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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.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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazanaphthalenes
- Sub Class
- Benzodiazines
- Direct Parent
- Quinazolines
- Alternative Parents
- Cumenes / Pyrimidones / Sulfonohydrazides / Hydrazinosulfonyl compounds / Vinylogous amides / Pyrazoles / Heteroaromatic compounds / Lactams / Azacyclic compounds / Organooxygen compounds show 3 more
- Substituents
- Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Cumene / Heteroaromatic compound / Hydrazinosulfonyl compound / Hydrocarbon derivative / Lactam / Organic nitrogen compound show 14 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7WG1MR7DAR
- CAS number
- 912574-69-7
- InChI Key
- MCECSFFXUPEPDB-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H19N5O4S/c1-9(2)10-8-13-12(7-11(10)14-5-6-17-20(14)3)15(22)21(16(23)18-13)19-26(4,24)25/h5-9,19H,1-4H3,(H,18,23)
- IUPAC Name
- N-[6-(1-methyl-1H-pyrazol-5-yl)-2,4-dioxo-7-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-3-yl]methanesulfonamide
- SMILES
- CC(C)C1=C(C=C2C(NC(=O)N(NS(C)(=O)=O)C2=O)=C1)C1=CC=NN1C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 45381907
- PubChem Substance
- 347828618
- ChemSpider
- 32698379
- ChEMBL
- CHEMBL3545042
- ZINC
- ZINC000116796247
- Wikipedia
- Selurampanel
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Not Available Adrenocortical Adenoma / Sarcoma, Endometrial Stromal 1 2 Completed Treatment Chronic Subjective Tinnitus 1 2 Completed Treatment Epilepsies / Seizures 1 2 Completed Treatment Migraine 1 2 Completed Treatment Partial-Onset Seizures 2 2 Completed Treatment Photosensitive Epilepsy 1 2 Withdrawn Treatment Muscle Spasticity Due to Multiple Sclerosis 1 2 Withdrawn Treatment Partial-Onset Seizures 1 2 Withdrawn Treatment Patients With Migraine Equal of /More Than 3 and Equal of/ Less Than 12 Migraine Attacks/4 Weeks for Each of the Last 6 Months Preceding the Screening 1
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 0.207 mg/mL ALOGPS logP 1.69 ALOGPS logP 1.54 ChemAxon logS -3.3 ALOGPS pKa (Strongest Acidic) 8.3 ChemAxon pKa (Strongest Basic) 2.43 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 113.4 Å2 ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 108.35 m3·mol-1 ChemAxon Polarizability 37.82 Å3 ChemAxon Number of Rings 3 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 22:06 / Updated at February 21, 2021 18:53