Taprenepag

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
Taprenepag
Accession Number
DB12623
Type
Small Molecule
Groups
Investigational
Description

Taprenepag has been used in trials studying the treatment of Ocular Hypertension and Glaucoma, Open-Angle.

Structure
Thumb
Synonyms
Not Available
External IDs
CP 544326 / CP-544326 / CP544326 / PF 04217329 / PF-04217329 / PF04217329
Categories
UNII
9CD894KUMJ
CAS number
752187-80-7
Weight
Average: 478.52
Monoisotopic: 478.131090998
Chemical Formula
C24H22N4O5S
InChI Key
MFFBXYNKZHTCEY-UHFFFAOYSA-N
InChI
InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)
IUPAC Name
2-{3-[(N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}pyridine-3-sulfonamido)methyl]phenoxy}acetic acid
SMILES
OC(=O)COC1=CC=CC(CN(CC2=CC=C(C=C2)N2C=CC=N2)S(=O)(=O)C2=CC=CN=C2)=C1

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
18376177
PubChem Substance
347828835
ChemSpider
13358608
BindingDB
50016953
ChEMBL
CHEMBL2107783

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentOcular Hypertension / Open-angle Glaucoma (OAG)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 Solubility0.0219 mg/mLALOGPS
logP2.35ALOGPS
logP2.33ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)3.11ChemAxon
pKa (Strongest Basic)2.11ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area114.62 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity125.99 m3·mol-1ChemAxon
Polarizability48.11 Å3ChemAxon
Number of Rings4ChemAxon
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/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 phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Pyrazoles
Direct Parent
Phenylpyrazoles
Alternative Parents
Phenoxyacetic acid derivatives / Pyridinesulfonamides / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Organosulfonamides / Heteroaromatic compounds / Aminosulfonyl compounds / Monocarboxylic acids and derivatives / Carboxylic acids
show 5 more
Substituents
Phenoxyacetate / Phenylpyrazole / Pyridine-3-sulfonamide / Phenoxy compound / Phenol ether / Alkyl aryl ether / Monocyclic benzene moiety / Pyridine / Organosulfonic acid amide / Benzenoid
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:17 / Updated on June 04, 2019 07:40