Florasulam
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Florasulam
- DrugBank Accession Number
- DB15316
- Background
Florasulam is under investigation in clinical trial NCT01193465 (Temperature and Humidity Among Different Anesthesia Work-station).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 359.28
Monoisotopic: 359.029994801 - Chemical Formula
- C12H8F3N5O3S
- Synonyms
- PRIMUS
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
- 00A64ZX8NB
- CAS number
- 145701-23-1
- InChI Key
- QZXATCCPQKOEIH-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3
- IUPAC Name
- N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
- SMILES
- COC1=NC=C(F)C2=NC(=NN12)S(=O)(=O)NC1=C(F)C=CC=C1F
References
- General References
- Not Available
- External Links
- KEGG Compound
- C18850
- ChemSpider
- 9875220
- ChEBI
- 82009
- ChEMBL
- CHEMBL3185236
- ZINC
- ZINC000038276325
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 0.0624 mg/mL ALOGPS logP 2.4 ALOGPS logP 2.09 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 8.8 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 98.48 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 86.31 m3·mol-1 Chemaxon Polarizability 28.56 Å3 Chemaxon Number of Rings 3 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 splash10-03di-0009000000-a86d6f6c2b904c7e06d5 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0aor-5009000000-d814f9ce39353bc36f70 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-4ce45347ca056776e965 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-4900000000-b11a7bb524c2f2395875 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-02ai-3941000000-a9ce99a1a3127c034b9c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014r-3690000000-282f6502bcf6fb0ff6a5 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]- 182.5223902 predictedDarkChem Lite v0.1.0 [M-H]- 170.5992 predictedDeepCCS 1.0 (2019) [M+H]+ 182.9440902 predictedDarkChem Lite v0.1.0 [M+H]+ 172.9572 predictedDeepCCS 1.0 (2019) [M+Na]+ 182.4057902 predictedDarkChem Lite v0.1.0 [M+Na]+ 179.99945 predictedDeepCCS 1.0 (2019)
Drug created at May 20, 2019 15:12 / Updated at June 12, 2020 16:53