This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Izencitinib
- DrugBank Accession Number
- DB16660
- Background
Izencitinib is under investigation in clinical trial NCT03920254 (TD-1473 Long-term Safety (LTS) Ulcerative Colitis (UC) Study).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Izencitinib (DB16660)
- Weight
- Average: 402.506
Monoisotopic: 402.228042869 - Chemical Formula
- C22H26N8
- Synonyms
- 3-((1r,3s,5s)-3-((7-((5-methyl-1h-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo(3.2.1)octan-8-yl)propanenitrile
- 8-azabicyclo(3.2.1)octane-8-propanenitrile, 3-((7-((5-methyl-1h-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-, (3-exo)-
- External IDs
- TD-1473
- TD1473
- WHO 11132
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
- 2ZT81PV5UM
- CAS number
- 2051918-33-1
- InChI Key
- DADAEARVGOQWHV-OSYLJGHBSA-N
- InChI
- InChI=1S/C22H26N8/c1-14-10-21(29-28-14)26-20-13-19-18(4-2-8-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-3-7-23/h2,4,8,10,13,15-17H,3,5-6,9,11-12H2,1H3,(H3,25,26,27,28,29)/t15-,16-,17+
- IUPAC Name
- 3-[(1R,3S,5S)-3-({7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl}amino)-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
- SMILES
- CC1=CC(NC2=NC(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)=C3C=CC=NC3=C2)=NN1
References
- General References
- Not Available
- External Links
- ChemSpider
- 75536963
Clinical Trials
- Clinical Trials
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Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Recruiting Treatment Crohn's Disease (CD) / Diabetic Gastroparesis 1 somestatus stop reason just information to hide 2 Terminated Treatment Crohn's Disease (CD) 1 somestatus stop reason just information to hide 2, 3 Terminated Treatment Ulcerative Colitis 2 somestatus stop reason just information to hide 1 Completed Basic Science Healthy Volunteers (HV) 1 somestatus stop reason just information to hide 1 Completed Basic Science Inflammatory Bowel Diseases (IBD) 1 somestatus stop reason just information to hide
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 0.061 mg/mL ALOGPS logP 3.87 ALOGPS logP 2.44 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 13.25 Chemaxon pKa (Strongest Basic) 7.3 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 105.55 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 118.38 m3·mol-1 Chemaxon Polarizability 44.79 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-0udi-0000900000-153bb8e29803b8670c72 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0010900000-f4c2800438ca7cdd58e0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0ug0-0009300000-1b78864a8761d0a1a9b7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udj-0009200000-cc531ef6a15dc80949b0 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0f7a-0039100000-1ed04392f20548016a73 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000g-0019000000-f91040da9db7b676819f 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 March 26, 2021 02:39 / Updated at March 26, 2021 03:55