This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Elismetrep
- DrugBank Accession Number
- DB15287
- Background
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
Structure for Elismetrep (DB15287)
- Weight
- Average: 542.53
Monoisotopic: 542.112327447 - Chemical Formula
- C27H21F3N2O5S
- Synonyms
- Elismetrep
- External IDs
- MT-8554
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
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
- External Links
- ChemSpider
- 58935213
- BindingDB
- 151677
- ChEMBL
- CHEMBL3682589
- ZINC
- ZINC000203668161
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Menopause-Related Hot Flashes 1 2 Completed Treatment Painful Diabetic Peripheral Neuropathy (PDPN) 2 2 Completed Treatment Vasomotor Symptoms Associated With Menopause 1 1 Completed Not Available Healthy Subjects (HS) 3 1 Completed Other Healthy Subjects (HS) 2 1 Completed Other Vasomotor Symptoms Associated With Menopause 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
Property Value Source Water Solubility 0.00101 mg/mL ALOGPS logP 4.93 ALOGPS logP 6.65 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 3.52 Chemaxon pKa (Strongest Basic) 0.63 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 96.8 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 129.72 m3·mol-1 Chemaxon Polarizability 50.95 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at May 20, 2019 15:08 / Updated at February 21, 2021 18:55