Selonsertib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Selonsertib
Accession Number
DB14916
Type
Small Molecule
Groups
Investigational
Description

Selonsertib is under investigation in clinical trial NCT03053050 (Safety and Efficacy of Selonsertib in Adults With Nonalcoholic Steatohepatitis (NASH) and Bridging (F3) Fibrosis).

Structure
Thumb
Synonyms
Not Available
External IDs
GS-4997
Categories
Not Available
UNII
NS3988A2TC
CAS number
1448428-04-3
Weight
Average: 445.502
Monoisotopic: 445.202636584
Chemical Formula
C24H24FN7O
InChI Key
YIDDLAAKOYYGJG-UHFFFAOYSA-N
InChI
InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)
IUPAC Name
5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide
SMILES
CC(C)N1C=NN=C1C1=CC=CC(NC(=O)C2=CC(N3C=NC(=C3)C3CC3)=C(C)C=C2F)=N1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
ChemSpider
44209497
BindingDB
50212258
ChEMBL
CHEMBL3916717
HET
NJV
PDB Entries
6oyt

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0WithdrawnDiagnosticSevere Alcoholic Hepatitis1
1CompletedTreatmentDiabetic Kidney Disease1
2CompletedTreatmentAlcoholic Hepatitis (AH)1
2CompletedTreatmentDiabetic Kidney Disease1
2CompletedTreatmentNon-Alcoholic Steatohepatitis (NASH)1
2CompletedTreatmentPulmonary Arterial Hypertension (PAH)1
2RecruitingTreatmentNon-Alcoholic Fatty Liver Disease (NAFLD) / Nonalcoholic Fatty Liver Disease (NAFLD) / Nonalcoholic Steatohepatitis (NASH)1
3CompletedTreatmentNonalcoholic Steatohepatitis2

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 Solubility0.0405 mg/mLALOGPS
logP3.55ALOGPS
logP4.1ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)13.86ChemAxon
pKa (Strongest Basic)5.75ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area90.52 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity146.91 m3·mol-1ChemAxon
Polarizability45.85 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:34 / Updated on February 02, 2020 03:17