CHF-6333
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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
- CHF-6333
- DrugBank Accession Number
- DB17815
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 636.65
Monoisotopic: 636.197788405 - Chemical Formula
- C28H31F3N6O6S
- Synonyms
- (r)-2-(5-cyano-2-(6-(methoxycarbonyl)-7-methyl-3-oxo-8-(3-(trifluoromethyl)phenyl)-2,3,5,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrimidin-5-yl)phenyl)-n,n,n-trimethylethanaminium methanesulfonate
- (r)-2-(5-cyano-2-(6-(methoxycarbonyl)-7-methyl-3-oxo-8-(3-(trifluoromethyl)phenyl)-2,3,5,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrimidin-5-yl)phenyl)-n,n,n-trimethylethanaminium methanesulfonate dehydrate
- Benzeneethanaminium, 5-cyano-n,n,n-trimethyl-2-((5r)-2,3,5,8-tetrahydro-6-(methoxycarbonyl)-7-methyl-3-oxo-8-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-a)pyrimidin-5-yl)-, methanesulfonate (1:1)
- Chf-6333 mesylate
- Gplscd01
- External IDs
- CHF-6333
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
- Q0656F336Y
- CAS number
- 1613621-54-7
- InChI Key
- PTLGCXRUDBXISG-GNAFDRTKSA-N
- InChI
- InChI=1S/C27H27F3N6O3.CH4O3S/c1-16-22(24(37)39-5)23(21-10-9-17(15-31)13-18(21)11-12-36(2,3)4)35-25(32-33-26(35)38)34(16)20-8-6-7-19(14-20)27(28,29)30;1-5(2,3)4/h6-10,13-14,23H,11-12H2,1-5H3;1H3,(H,2,3,4)/t23-;/m0./s1
- IUPAC Name
- (2-{5-cyano-2-[(5R)-6-(methoxycarbonyl)-7-methyl-3-oxo-8-[3-(trifluoromethyl)phenyl]-2H,3H,5H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]phenyl}ethyl)trimethylazanium methanesulfonate
- SMILES
- CS([O-])(=O)=O.COC(=O)C1=C(C)N(C2=NNC(=O)N2[C@@H]1C1=CC=C(C=C1CC[N+](C)(C)C)C#N)C1=CC=CC(=C1)C(F)(F)F
References
- General References
- Not Available
- External Links
- ChemSpider
- 81368297
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Cystic Fibrosis (CF) / Noncystic Fibrosis Bronchiectasis (NCFB) 2 1, 2 Recruiting Treatment Bronchiectasis 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 logP 0.34 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 98.03 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 152.08 m3·mol-1 Chemaxon Polarizability 52.56 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 17, 2023 16:03 / Updated at May 19, 2023 23:20