Sivelestat

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

Identification

Name
Sivelestat
Accession Number
DB12863
Type
Small Molecule
Groups
Investigational
Description

Sivelestat has been used in trials studying the treatment of Acute Lung Injury and Respiratory Distress Syndrome, Adult.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
DWI62G0P59
CAS number
127373-66-4
Weight
Average: 434.46
Monoisotopic: 434.11477223
Chemical Formula
C20H22N2O7S
InChI Key
BTGNGJJLZOIYID-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
IUPAC Name
2-[(2-{4-[(2,2-dimethylpropanoyl)oxy]benzenesulfonamido}phenyl)formamido]acetic acid
SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1C(=O)NCC(O)=O

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
DrugInteractionDrug group
AbacavirThe serum concentration of Abacavir can be decreased when it is combined with Sivelestat.Approved, Investigational
AlfuzosinThe serum concentration of Alfuzosin can be increased when it is combined with Sivelestat.Approved, Investigational
AlprazolamThe serum concentration of Alprazolam can be increased when it is combined with Sivelestat.Approved, Illicit, Investigational
Ambroxol acefyllinateThe serum concentration of Ambroxol acefyllinate can be decreased when it is combined with Sivelestat.Experimental, Investigational
AmineptineThe serum concentration of Amineptine can be increased when it is combined with Sivelestat.Illicit, Withdrawn
AminophyllineThe serum concentration of Aminophylline can be decreased when it is combined with Sivelestat.Approved
AmitriptylineThe serum concentration of Amitriptyline can be increased when it is combined with Sivelestat.Approved
AmitriptylinoxideThe serum concentration of Amitriptylinoxide can be increased when it is combined with Sivelestat.Approved, Investigational
AmoxapineThe serum concentration of Amoxapine can be increased when it is combined with Sivelestat.Approved
BoceprevirThe serum concentration of Sivelestat can be decreased when it is combined with Boceprevir.Approved, Withdrawn
BromocriptineThe serum concentration of Bromocriptine can be increased when it is combined with Sivelestat.Approved, Investigational
ButriptylineThe serum concentration of Butriptyline can be increased when it is combined with Sivelestat.Approved
CabergolineThe serum concentration of Cabergoline can be increased when it is combined with Sivelestat.Approved
CarbamazepineThe metabolism of Sivelestat can be increased when combined with Carbamazepine.Approved, Investigational
ClarithromycinThe therapeutic efficacy of Clarithromycin can be decreased when used in combination with Sivelestat.Approved
ClomipramineThe serum concentration of Clomipramine can be increased when it is combined with Sivelestat.Approved, Investigational, Vet Approved
CyclophosphamideThe risk or severity of adverse effects can be increased when Sivelestat is combined with Cyclophosphamide.Approved, Investigational
CyclosporineThe serum concentration of Cyclosporine can be increased when it is combined with Sivelestat.Approved, Investigational, Vet Approved
DelavirdineThe serum concentration of Delavirdine can be decreased when it is combined with Sivelestat.Approved
DesipramineThe serum concentration of Desipramine can be increased when it is combined with Sivelestat.Approved, Investigational
DibenzepinThe serum concentration of Dibenzepin can be increased when it is combined with Sivelestat.Experimental
DiethylstilbestrolThe serum concentration of Diethylstilbestrol can be decreased when it is combined with Sivelestat.Approved, Investigational
DigoxinThe serum concentration of Digoxin can be increased when it is combined with Sivelestat.Approved
DihydroergotamineThe serum concentration of Dihydroergotamine can be increased when it is combined with Sivelestat.Approved, Investigational
DiltiazemThe metabolism of Diltiazem can be decreased when combined with Sivelestat.Approved, Investigational
DimetacrineThe serum concentration of Dimetacrine can be increased when it is combined with Sivelestat.Approved, Withdrawn
DosulepinThe serum concentration of Dosulepin can be increased when it is combined with Sivelestat.Approved
DoxepinThe serum concentration of Doxepin can be increased when it is combined with Sivelestat.Approved, Investigational
DyphyllineThe serum concentration of Dyphylline can be decreased when it is combined with Sivelestat.Approved
EnfuvirtideThe serum concentration of Enfuvirtide can be increased when it is combined with Sivelestat.Approved, Investigational
Ergoloid mesylateThe serum concentration of Ergoloid mesylate can be increased when it is combined with Sivelestat.Approved
ErgonovineThe serum concentration of Ergonovine can be increased when it is combined with Sivelestat.Approved
ErgotamineThe serum concentration of Ergotamine can be increased when it is combined with Sivelestat.Approved
EstradiolThe serum concentration of Estradiol can be decreased when it is combined with Sivelestat.Approved, Investigational, Vet Approved
Estradiol cypionateThe serum concentration of Estradiol cypionate can be decreased when it is combined with Sivelestat.Approved, Investigational, Vet Approved
Estradiol valerateThe serum concentration of Estradiol valerate can be decreased when it is combined with Sivelestat.Approved, Investigational, Vet Approved
Ethinyl EstradiolThe serum concentration of Ethinyl Estradiol can be decreased when it is combined with Sivelestat.Approved
EtravirineThe serum concentration of Etravirine can be decreased when it is combined with Sivelestat.Approved
GarlicThe serum concentration of Sivelestat can be decreased when it is combined with Garlic.Approved, Nutraceutical
ImipramineThe serum concentration of Imipramine can be increased when it is combined with Sivelestat.Approved
IprindoleThe serum concentration of Iprindole can be increased when it is combined with Sivelestat.Experimental
LofepramineThe serum concentration of Lofepramine can be increased when it is combined with Sivelestat.Experimental
LovastatinThe serum concentration of Lovastatin can be increased when it is combined with Sivelestat.Approved, Investigational
MelitracenThe serum concentration of Melitracen can be increased when it is combined with Sivelestat.Experimental, Investigational
MestranolThe serum concentration of Mestranol can be decreased when it is combined with Sivelestat.Approved
MethylergometrineThe serum concentration of Methylergometrine can be increased when it is combined with Sivelestat.Approved
MidazolamThe serum concentration of Midazolam can be increased when it is combined with Sivelestat.Approved, Illicit
NefazodoneThe serum concentration of Nefazodone can be increased when it is combined with Sivelestat.Approved, Withdrawn
NortriptylineThe serum concentration of Nortriptyline can be increased when it is combined with Sivelestat.Approved
OpipramolThe serum concentration of Opipramol can be increased when it is combined with Sivelestat.Investigational
PethidineThe risk or severity of adverse effects can be increased when Sivelestat is combined with Pethidine.Approved
ProtriptylineThe serum concentration of Protriptyline can be increased when it is combined with Sivelestat.Approved
RiociguatThe serum concentration of Riociguat can be increased when it is combined with Sivelestat.Approved
SildenafilThe serum concentration of Sildenafil can be increased when it is combined with Sivelestat.Approved, Investigational
SimvastatinThe serum concentration of Simvastatin can be increased when it is combined with Sivelestat.Approved
St. John's WortThe metabolism of Sivelestat can be increased when combined with St. John's Wort.Approved, Investigational, Nutraceutical
TacrolimusThe metabolism of Tacrolimus can be decreased when combined with Sivelestat.Approved, Investigational
TemsirolimusThe risk or severity of adverse effects can be increased when Sivelestat is combined with Temsirolimus.Approved
TheophyllineThe serum concentration of Theophylline can be decreased when it is combined with Sivelestat.Approved
TianeptineThe serum concentration of Tianeptine can be increased when it is combined with Sivelestat.Approved, Investigational
TipranavirThe serum concentration of Sivelestat can be decreased when it is combined with Tipranavir.Approved, Investigational
TriazolamThe serum concentration of Triazolam can be increased when it is combined with Sivelestat.Approved, Investigational
TrimipramineThe serum concentration of Trimipramine can be increased when it is combined with Sivelestat.Approved
Valproic AcidThe serum concentration of Valproic Acid can be decreased when it is combined with Sivelestat.Approved, Investigational
VerapamilThe metabolism of Verapamil can be decreased when combined with Sivelestat.Approved
ZidovudineThe serum concentration of Zidovudine can be decreased when it is combined with Sivelestat.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
107706
PubChem Substance
347829021
ChemSpider
96875
BindingDB
50084637
ChEBI
135704
ChEMBL
CHEMBL76688
Wikipedia
Sivelestat

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentAcute Lung Injury (ALI) / Respiratory Distress Syndrome, Adult1

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 Solubility0.0152 mg/mLALOGPS
logP2.68ALOGPS
logP2.42ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)2.77ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area138.87 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity107.78 m3·mol-1ChemAxon
Polarizability42.97 Å3ChemAxon
Number of Rings2ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids / Benzenesulfonamides / Sulfanilides / Phenol esters / Benzenesulfonyl compounds / Phenoxy compounds / Benzoyl derivatives / Organosulfonamides / Dicarboxylic acids and derivatives / Vinylogous amides
show 9 more
Substituents
Hippuric acid / N-acyl-alpha-amino acid / N-acyl-alpha amino acid or derivatives / Alpha-amino acid or derivatives / Benzenesulfonamide / Phenol ester / Sulfanilide / Benzenesulfonyl group / Phenoxy compound / Benzoyl
show 22 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:48 / Updated on June 02, 2018 08:43