TK216
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Identification
- Generic Name
- TK216
- DrugBank Accession Number
- DB17414
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 376.23
Monoisotopic: 375.0428987 - Chemical Formula
- C19H15Cl2NO3
- Synonyms
- Not Available
- External IDs
- ONCT-216
- TK-216
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
- Not Available
- CAS number
- 1903783-48-1
- InChI Key
- ZWHNLSHDLKIXOG-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H15Cl2NO3/c20-13-7-8-14(21)17-16(13)19(25,18(24)22-17)9-15(23)12-5-3-11(4-6-12)10-1-2-10/h3-8,10,25H,1-2,9H2,(H,22,24)
- IUPAC Name
- 1-(4-cyclopropylphenyl)-2-(4,7-dichloro-2,3-dihydroxy-3H-indol-3-yl)ethan-1-one
- SMILES
- OC1=NC2=C(Cl)C=CC(Cl)=C2C1(O)CC(=O)C1=CC=C(C=C1)C1CC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 58836890
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Recruiting Treatment Ewing's Sarcoma 1 1 Withdrawn Treatment Recurrent Acute Myeloid Leukemia / Refractory Acute Myeloid Leukemia (AML) 1 1, 2 Terminated Treatment Ewing's Sarcoma 1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 Water Solubility 0.00217 mg/mL ALOGPS logP 3.75 ALOGPS logP 4.62 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 1.78 Chemaxon pKa (Strongest Basic) -1.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 69.89 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 98.24 m3·mol-1 Chemaxon Polarizability 37.34 Å3 Chemaxon Number of Rings 4 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 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 January 05, 2023 21:31 / Updated at January 07, 2023 01:39