Elismetrep

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

Identification

Name
Elismetrep
Accession Number
DB15287
Description

Elismetrep is under investigation in clinical trial NCT02429102 (A Study to Investigate the Safety, Tolerability and Pharmacokinetics of MT-8554 in Healthy Subjects).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 542.53
Monoisotopic: 542.112327447
Chemical Formula
C27H21F3N2O5S
Synonyms
Not Available
External IDs
  • MT-8554

Pharmacology

Indication
Not Available
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
Affected organisms
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

Categories

Drug Categories
Not Available
Classification
Not classified

Chemical Identifiers

UNII
KIB8V5UR7D
CAS number
1400699-64-0
InChI Key
CWEFDWIKLABKBX-UHFFFAOYSA-N
InChI
InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)
IUPAC Name
4-[(4-cyclopropylisoquinolin-3-yl)({[4-(trifluoromethoxy)phenyl]methyl})sulfamoyl]benzoic acid
SMILES
OC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=C(OC(F)(F)F)C=C1)C1=NC=C2C=CC=CC2=C1C1CC1

References

General References
Not Available
ChemSpider
58935213
BindingDB
151677
ChEMBL
CHEMBL3682589
ZINC
ZINC000203668161

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMenopause Hot Flashes1
2CompletedTreatmentPainful Diabetic Peripheral Neuropathy (PDPN)1
2CompletedTreatmentVasomotor Symptoms1
1CompletedNot AvailableHealthy Volunteers3
1CompletedOtherHealthy Volunteers2
1CompletedOtherVasomotor Symptoms1

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 Solubility0.00101 mg/mLALOGPS
logP4.93ALOGPS
logP6.65ChemAxon
logS-5.7ALOGPS
pKa (Strongest Acidic)3.52ChemAxon
pKa (Strongest Basic)0.63ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area96.8 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity129.72 m3·mol-1ChemAxon
Polarizability50.95 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on May 20, 2019 09:08 / Updated on June 12, 2020 10:53

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