NAV

Selonsertib

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Selonsertib
DrugBank Accession Number
DB14916
Background

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

Type
Small Molecule
Groups
Investigational
Structure
 3D
Similar Structures
Weight
Average: 445.502
Monoisotopic: 445.202636584
Chemical Formula
C24H24FN7O
Synonyms
  • Selonsertib
External IDs
  • GS-4997

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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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With structured adverse effects data, including:blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 byClassyfire
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Pyridyl-1,2,4-triazoles/2-halobenzoic acids and derivatives/p-Toluamides/Benzamides/Benzoyl derivatives/Fluorobenzenes/N-substituted imidazoles/Imidolactams/Aryl fluorides/Vinylogous halides
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Substituents
1,2,4-triazole/1-phenylimidazole/2-halobenzoic acid or derivatives/Aromatic heteromonocyclic compound/Aryl fluoride/Aryl halide/Azacycle/Benzamide/Benzenoid/Benzoic acid or derivatives
show 28 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
NS3988A2TC
CAS number
1448428-04-3
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

References

一般References
Not Available
ChemSpider
44209497
BindingDB
50212258
ChEMBL
CHEMBL3916717
ZINC
ZINC000149387856
PDBe Ligand
NJV
PDB项
6oyt

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
3 Terminated Treatment Non Alcoholic Steatohepatitis (NASH) 2
2 Completed Treatment Alcoholic Hepatitis (AH) 1
2 Completed Treatment Diabetic Kidney Disease (DKD) 1
2 Completed Treatment Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD/Non Alcoholic Steatohepatitis (NASH) 1
2 Completed Treatment Non Alcoholic Steatohepatitis (NASH) 1
2 Completed Treatment Pulmonary Arterial Hypertension (PAH) 1
1 Completed Treatment Diabetic Kidney Disease (DKD) 1
0 Withdrawn Diagnostic Severe Alcoholic Hepatitis 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 0.0405 mg/mL ALOGPS
logP 3.55 ALOGPS
logP 4.1 Chemaxon
logS -4 ALOGPS
pKa (Strongest Acidic) 13.86 Chemaxon
pKa (Strongest Basic) 5.75 Chemaxon
Physiological Charge 0 Chemaxon
Hydrogen Acceptor Count 5 Chemaxon
Hydrogen Donor Count 1 Chemaxon
Polar Surface Area 90.52 Å2 Chemaxon
Rotatable Bond Count 6 Chemaxon
Refractivity 146.91 m3·mol-1 Chemaxon
Polarizability 45.85 Å3 Chemaxon
Number of Rings 5 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule Yes Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 14:34 / Updated at February 21, 2021 18:55