Selurampanel
Star0
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
- Weight
- Average: 377.42
Monoisotopic: 377.115775286 - Chemical Formula
- C16H19N5O4S
- Synonyms
- Selurampanel
- External IDs
- BGG-492
- BGG492
Pharmacology
- Indication
Not Available
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- 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. 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
- 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 Epilepsy / Seizures 1 2 Completed Treatment Migraine 1 2 Completed Treatment Partial-Onset Seizures 2
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 splash10-004i-0009000000-94117e2e2cddf1dd819f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-1039000000-e58f09e321182293b46b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0009000000-0d08b78112a8bb3c2c3e Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0gc0-0094000000-374ae82dbef0d10cd98d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004j-3049000000-fbf398adb8152267591d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9070000000-561dc9f2cb333dd7256f Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 204.9914617 predictedDarkChem Lite v0.1.0 [M-H]- 181.90288 predictedDeepCCS 1.0 (2019) [M+H]+ 205.4594617 predictedDarkChem Lite v0.1.0 [M+H]+ 184.26088 predictedDeepCCS 1.0 (2019) [M+Na]+ 205.7169617 predictedDarkChem Lite v0.1.0 [M+Na]+ 192.39069 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:06 / Updated at February 21, 2021 18:53