NAV

Evatanepag

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

Identification

Generic Name
Evatanepag
DrugBank Accession Number
DB12022
Background

Evatanepag has been used in trials studying the treatment of Tibial Fractures.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 468.57
Monoisotopic: 468.171893184
Chemical Formula
C25H28N2O5S
Synonyms
  • Evatanepag
External IDs
  • Cp-533,536
  • Cp-533536
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Evatanepag SodiumU6GMO13KCQ223490-49-1SVNBMCJEDANCKY-UHFFFAOYSA-M

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenoxyacetic acid derivatives
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Pyridinesulfonamides / Phenylpropanes / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Organosulfonamides / Aminosulfonyl compounds / Heteroaromatic compounds / Azacyclic compounds / Carboxylic acids
show 6 more
Substituents
Alkyl aryl ether / Aminosulfonyl compound / Aromatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Ether / Heteroaromatic compound / Hydrocarbon derivative
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
L266R6E31E
CAS number
223488-57-1
InChI Key
WOHRHWDYFNWPNG-UHFFFAOYSA-N
InChI
InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
IUPAC Name
2-[3-({N-[(4-tert-butylphenyl)methyl]pyridine-3-sulfonamido}methyl)phenoxy]acetic acid
SMILES
CC(C)(C)C1=CC=C(CN(CC2=CC=CC(OCC(O)=O)=C2)S(=O)(=O)C2=CC=CN=C2)C=C1

References

General References
Not Available
PubChem Compound
9890801
PubChem Substance
347828338
ChemSpider
8066471
BindingDB
50293496
ChEMBL
CHEMBL563646
ZINC
ZINC000001494905
PDBe Ligand
GM9
PDB Entries
7cx4

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentTibial Fractures1

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 Solubility0.00144 mg/mLALOGPS
logP3.53ALOGPS
logP4.04Chemaxon
logS-5.5ALOGPS
pKa (Strongest Acidic)3.05Chemaxon
pKa (Strongest Basic)1.07Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area96.8 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity126.29 m3·mol-1Chemaxon
Polarizability48.71 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-014i-0102900000-2b26b9ff8670f1f4be98
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-3000900000-254f5b0d5f4292cb0590
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0901600000-68f3cc9c355fae27c8f6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-2111900000-31900e1b80cee6ef085b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9500100000-747dad0fd88e20da4863
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-3960100000-57df0abcb7ed578efbb0
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]-201.87686
predicted
DeepCCS 1.0 (2019)
[M+H]+204.27242
predicted
DeepCCS 1.0 (2019)
[M+Na]+211.59227
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:11 / Updated at February 21, 2021 18:53