NAV

Vidupiprant

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

Identification

Generic Name
Vidupiprant
DrugBank Accession Number
DB12272
Background

Vidupiprant has been used in trials studying the treatment and basic science of Asthma.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 609.49
Monoisotopic: 608.0950913
Chemical Formula
C28H27Cl2FN2O6S
Synonyms
  • Vidupiprant
External IDs
  • AMG 853
  • AMG-853
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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 diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylethers
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers / Sulfanilides / Benzenesulfonamides / Benzamides / Benzenesulfonyl compounds / Phenoxy compounds / Phenol ethers / Benzoyl derivatives / Chlorobenzenes / Fluorobenzenes
show 13 more
Substituents
Aminosulfonyl compound / Aromatic homomonocyclic compound / Aryl chloride / Aryl fluoride / Aryl halide / Benzamide / Benzenesulfonamide / Benzenesulfonyl group / Benzoic acid or derivatives / Benzoyl
show 29 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
61OTZ32XNC
CAS number
1169483-24-2
InChI Key
PFWVGKROPKKEDW-UHFFFAOYSA-N
InChI
InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
IUPAC Name
2-{4-[4-(tert-butylcarbamoyl)-2-(2-chloro-4-cyclopropylbenzenesulfonamido)phenoxy]-5-chloro-2-fluorophenyl}acetic acid
SMILES
CC(C)(C)NC(=O)C1=CC=C(OC2=CC(F)=C(CC(O)=O)C=C2Cl)C(NS(=O)(=O)C2=CC=C(C=C2Cl)C2CC2)=C1

References

General References
Not Available
PubChem Compound
42641863
PubChem Substance
347828543
ChemSpider
28497640
BindingDB
50363928
ChEMBL
CHEMBL1951575
ZINC
ZINC000043206238

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAsthma1
1CompletedBasic ScienceAsthma1
1CompletedBasic ScienceHealthy Volunteers (HV)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
PropertyValueSource
Water Solubility0.000145 mg/mLALOGPS
logP6.01ALOGPS
logP5.86Chemaxon
logS-6.6ALOGPS
pKa (Strongest Acidic)3.11Chemaxon
pKa (Strongest Basic)-0.83Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area121.8 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity150.43 m3·mol-1Chemaxon
Polarizability60.15 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0a4i-0010019000-dc14380bd6c87b29b164
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-1000093000-37d7a42e29ff6e54eb66
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pb9-2300079000-b04b534c84c82accaeb7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0536-2012294000-e86290b3fa2187ce68bc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0mil-0305391000-97a9cb39ba34e426d6b7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9312010000-15f4d363114a617ee317
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-221.39214
predicted
DeepCCS 1.0 (2019)
[M+H]+223.53252
predicted
DeepCCS 1.0 (2019)
[M+Na]+230.02786
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:47 / Updated at February 21, 2021 18:53