MRX-I
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- MRX-I
- DrugBank Accession Number
- DB12796
- Background
MRX-I has been used in trials studying the treatment of Bacterial Infections.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 408.337
Monoisotopic: 408.104539468 - Chemical Formula
- C18H15F3N4O4
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as tertiary alkylarylamines. These are tertiary amines where the nitrogen atom is linked to at least one alkyl group and at least one aryl group.
- Kingdom
- Organic compounds
- Super Class
- Organic nitrogen compounds
- Class
- Organonitrogen compounds
- Sub Class
- Amines
- Direct Parent
- Tertiary alkylarylamines
- Alternative Parents
- Aniline and substituted anilines / Tetrahydropyridines / Fluorobenzenes / Oxazolidinones / Imidolactams / Aryl fluorides / Vinylogous amides / Isoxazoles / Heteroaromatic compounds / Carbamate esters show 8 more
- Substituents
- Allylamine / Aniline or substituted anilines / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzenoid / Carbamic acid ester / Carbonyl group show 23 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- B669M62ELP
- CAS number
- 1112968-42-9
- InChI Key
- SULYVXZZUMRQAX-NSHDSACASA-N
- InChI
- InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1
- IUPAC Name
- 1-{2,3,6-trifluoro-4-[(5S)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-1,2,3,4-tetrahydropyridin-4-one
- SMILES
- FC1=C(N2CCC(=O)C=C2)C(F)=C(F)C(=C1)N1C[C@H](CNC2=NOC=C2)OC1=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 6wqn
Clinical Trials
- Clinical Trials
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Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Bacterial Infections 1 somestatus stop reason just information to hide
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 0.237 mg/mL ALOGPS logP 2.24 ALOGPS logP 2.55 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 17.59 Chemaxon pKa (Strongest Basic) 1.23 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 87.91 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 97.18 m3·mol-1 Chemaxon Polarizability 36.26 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0000900000-586cefcaa9ca69730ee6 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4l-0008900000-defd757d7afa450d9f35 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0ir9-0039100000-487cc6b128e89e8d7184 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0129000000-fc62b945374a810ccc54 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-bb818e64ea80af43c512 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014u-2139100000-054a71e298da2dd293b1 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 193.57552 predictedDeepCCS 1.0 (2019) [M+H]+ 195.93352 predictedDeepCCS 1.0 (2019) [M+Na]+ 202.34444 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:20 / Updated at June 12, 2020 16:53