Doranidazole
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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
- Doranidazole
- DrugBank Accession Number
- DB17304
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 247.207
Monoisotopic: 247.080435151 - Chemical Formula
- C8H13N3O6
- Synonyms
- (2rs,3sr)-3-((2-nitroimidazol-1-yl)methoxy)butane-1,2,4-triol
- 1,2,4-butanetriol, 3-((2-nitro-1h-imidazol-1-yl)methoxy)-, (2r,3s)-rel-
- External IDs
- PR-350
- RP-343
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 911XR034RX
- CAS number
- 149838-23-3
- InChI Key
- FIITXXIVUIXYMI-RQJHMYQMSA-N
- InChI
- InChI=1S/C8H13N3O6/c12-3-6(14)7(4-13)17-5-10-2-1-9-8(10)11(15)16/h1-2,6-7,12-14H,3-5H2/t6-,7+/m1/s1
- IUPAC Name
- (2R,3S)-3-[(2-nitro-1H-imidazol-1-yl)methoxy]butane-1,2,4-triol
- SMILES
- OC[C@@H](O)[C@H](CO)OCN1C=CN=C1[N+]([O-])=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 144199
- ChEMBL
- CHEMBL2107741
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 Water Solubility 15.5 mg/mL ALOGPS logP -1.5 ALOGPS logP -1.2 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 13.31 Chemaxon pKa (Strongest Basic) 0.038 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 130.88 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 53.77 m3·mol-1 Chemaxon Polarizability 22.49 Å3 Chemaxon Number of Rings 1 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
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 02, 2022 22:40 / Updated at December 03, 2022 09:37