AVR-48
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- AVR-48
- DrugBank Accession Number
- DB18294
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 342.304
Monoisotopic: 342.106315548 - Chemical Formula
- C14H18N2O8
- Synonyms
- .beta.-d-glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-
- 4-nitrophenyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
- 4-nitrophenyl-n-acetyl-beta-d-glucosaminide
- N-((2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2h-pyran-3-yl) acetamide
- N-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamide
- External IDs
- AVR-48
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- GVY9AA7Y5C
- CAS number
- 3459-18-5
- InChI Key
- OMRLTNCLYHKQCK-DHGKCCLASA-N
- InChI
- InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1
- IUPAC Name
- N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide
- SMILES
- CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC1=CC=C(C=C1)[N+]([O-])=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 92499
- ChEBI
- 90343
- ChEMBL
- CHEMBL595014
- ZINC
- ZINC000002150875
- PDBe Ligand
- LEC
- PDB Entries
- 3f64 / 5ggn / 5ggo
Clinical Trials
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 logP -0.95 Chemaxon pKa (Strongest Acidic) 11.72 Chemaxon pKa (Strongest Basic) 1.01 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 151.39 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 77.61 m3·mol-1 Chemaxon Polarizability 32.24 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 15, 2023 21:50 / Updated at September 17, 2023 04:15