TAK-243
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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
- TAK-243
- DrugBank Accession Number
- DB15013
- Background
TAK-243 is under investigation in clinical trial NCT03816319 (TAK-243 in Treating Patients With Relapsed or Refractory Acute Myeloid Leukemia or Refractory Myelodysplastic Syndrome or Chronic Myelomonocytic Leukemia).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 519.51
Monoisotopic: 519.085795601 - Chemical Formula
- C19H20F3N5O5S2
- Synonyms
- Not Available
- External IDs
- MLN7243
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- V9GGV0YCDI
- CAS number
- 1450833-55-2
- InChI Key
- KJDAGXLMHXUAGV-DGWLBADLSA-N
- InChI
- InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1
- IUPAC Name
- [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(2-{3-[(trifluoromethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methyl sulfamate
- SMILES
- NS(=O)(=O)OC[C@H]1C[C@@H](NC2=CC=NC3=CC(=NN23)C2=CC=CC(SC(F)(F)F)=C2)[C@H](O)[C@@H]1O
References
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Not Yet Recruiting Treatment Advanced Lymphomas / Advanced Malignant Solid Tumor / Metastatic Malignant Solid Neoplasms 1 1 Not Yet Recruiting Treatment Myelodysplastic Syndrome / Recurrent Acute Myeloid Leukemia / Refractory Acute Myeloid Leukemia (AML) / Refractory Chronic Myelomonocytic Leukemia / Refractory High Risk Myelodysplastic Syndrome 1 1 Terminated Treatment Advanced Malignant Solid Tumor 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 0.202 mg/mL ALOGPS logP 2.66 ALOGPS logP 1.87 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 11.39 Chemaxon pKa (Strongest Basic) 1.89 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 152.07 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 127.94 m3·mol-1 Chemaxon Polarizability 46.97 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:42 / Updated at June 12, 2020 16:53