NAV

Selurampanel

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
3D
Similar Structures
Weight
Average: 377.42
Monoisotopic: 377.115775286
Chemical Formula
C16H19N5O4S
Synonyms
  • Selurampanel
External IDs
  • BGG-492
  • BGG492
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
PubChem Compound
45381907
PubChem Substance
347828618
ChemSpider
32698379
ChEMBL
CHEMBL3545042
ZINC
ZINC000116796247
Wikipedia
Selurampanel

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedNot AvailableAdrenocortical Adenoma / Sarcoma, Endometrial Stromal1
2CompletedTreatmentChronic Subjective Tinnitus1
2CompletedTreatmentEpilepsy / Seizures1
2CompletedTreatmentMigraine1
2CompletedTreatmentPartial-Onset Seizures2

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
PropertyValueSource
Water Solubility0.207 mg/mLALOGPS
logP1.69ALOGPS
logP1.54Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)8.3Chemaxon
pKa (Strongest Basic)2.43Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area113.4 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity108.35 m3·mol-1Chemaxon
Polarizability37.82 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-94117e2e2cddf1dd819f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-1039000000-e58f09e321182293b46b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-0d08b78112a8bb3c2c3e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gc0-0094000000-374ae82dbef0d10cd98d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004j-3049000000-fbf398adb8152267591d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9070000000-561dc9f2cb333dd7256f
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-204.9914617
predicted
DarkChem Lite v0.1.0
[M-H]-181.90288
predicted
DeepCCS 1.0 (2019)
[M+H]+205.4594617
predicted
DarkChem Lite v0.1.0
[M+H]+184.26088
predicted
DeepCCS 1.0 (2019)
[M+Na]+205.7169617
predicted
DarkChem Lite v0.1.0
[M+Na]+192.39069
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:06 / Updated at February 21, 2021 18:53