This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Crisdesalazine
- DrugBank Accession Number
- DB18405
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Crisdesalazine (DB18405)
- Weight
- Average: 325.287
Monoisotopic: 325.092577804 - Chemical Formula
- C16H14F3NO3
- Synonyms
- 2-hydroxy-5-((2-(4-(trifluoromethyl)phenyl)ethyl)amino)benzoic acid
- Benzoic acid, 2-hydroxy-5-((2-(4-(trifluoromethyl)phenyl)ethyl)amino)-
- External IDs
- AAD 2004
- AAD-2004
- AAD2004
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
- 11VWK61J69
- CAS number
- 927685-43-6
- InChI Key
- UTMVACIBQLDZLP-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H14F3NO3/c17-16(18,19)11-3-1-10(2-4-11)7-8-20-12-5-6-14(21)13(9-12)15(22)23/h1-6,9,20-21H,7-8H2,(H,22,23)
- IUPAC Name
- 2-hydroxy-5-({2-[4-(trifluoromethyl)phenyl]ethyl}amino)benzoic acid
- SMILES
- OC(=O)C1=CC(NCCC2=CC=C(C=C2)C(F)(F)F)=CC=C1O
References
- General References
- Not Available
- External Links
- ChemSpider
- 13170885
- ZINC
- ZINC000034885635
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 2.77 Chemaxon pKa (Strongest Acidic) 2.54 Chemaxon pKa (Strongest Basic) 5.34 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 69.56 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 80.83 m3·mol-1 Chemaxon Polarizability 30.08 Å3 Chemaxon Number of Rings 2 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 21, 2023 22:15 / Updated at September 24, 2023 02:56