Potassium (Benzenesulfonyl)({[6-(3-{2-[1-(Trifluoromethyl)Cyclopropyl]Ethoxy}-1H-Pyrazol-1-Yl)-2-[(4S)-2,2,4-Trimethylpyrrolidin-1-Yl]Pyridin-3-Yl]Carbonyl})Azanide
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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
- Potassium (Benzenesulfonyl)({[6-(3-{2-[1-(Trifluoromethyl)Cyclopropyl]Ethoxy}-1H-Pyrazol-1-Yl)-2-[(4S)-2,2,4-Trimethylpyrrolidin-1-Yl]Pyridin-3-Yl]Carbonyl})Azanide
- DrugBank Accession Number
- DB17863
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 629.74
Monoisotopic: 629.16859165 - Chemical Formula
- C28H31F3KN5O4S
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- VY7D8MTV72
- CAS number
- Not Available
- InChI Key
- BWMSVLSYIQHCQP-FYZYNONXSA-M
- InChI
- InChI=1S/C28H32F3N5O4S.K/c1-19-17-26(2,3)35(18-19)24-21(25(37)34-41(38,39)20-7-5-4-6-8-20)9-10-22(32-24)36-15-11-23(33-36)40-16-14-27(12-13-27)28(29,30)31;/h4-11,15,19H,12-14,16-18H2,1-3H3,(H,34,37);/q;+1/p-1/t19-;/m0./s1
- IUPAC Name
- potassium (Z)-N-(benzenesulfonyl)-6-(3-{2-[1-(trifluoromethyl)cyclopropyl]ethoxy}-1H-pyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboximidate
- SMILES
- [K+].[H][C@@]1(C)CN(C2=C(C=CC(=N2)N2C=CC(OCCC3(CC3)C(F)(F)F)=N2)C(\[O-])=N\S(=O)(=O)C2=CC=CC=C2)C(C)(C)C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 81368606
- ChEMBL
- CHEMBL4298159
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 6.67 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 112.74 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 160.46 m3·mol-1 Chemaxon Polarizability 58.56 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 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 June 01, 2023 19:24 / Updated at June 02, 2023 02:07