8-Chloroadenosine
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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
- 8-Chloroadenosine
- DrugBank Accession Number
- DB16075
- Background
8-Chloroadenosine is under investigation in clinical trial NCT02509546 (8-chloroadenosine in Treating Patients With Relapsed or Refractory Acute Myeloid Leukemia).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 301.69
Monoisotopic: 301.0577816 - Chemical Formula
- C10H12ClN5O4
- Synonyms
- Adenosine, 8-chloro-
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
- PA05MFH3I7
- CAS number
- 34408-14-5
- InChI Key
- MHDPPLULTMGBSI-UUOKFMHZSA-N
- InChI
- InChI=1S/C10H12ClN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
- IUPAC Name
- (2R,3R,4S,5R)-2-(6-amino-8-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- SMILES
- NC1=NC=NC2=C1N=C(Cl)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
- ChemSpider
- 130127
- ZINC
- ZINC000003963660
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Chronic Lymphocytic Leukemia / Leukemias 1 1 Recruiting Treatment Acute Myeloid Leukemia / Recurrent Acute Myeloid Leukemia / Refractory Acute Myeloid Leukemia (AML) 1 1, 2 Completed Treatment Acute Myeloid Leukemia Arising From Previous Myelodysplastic Syndrome / Recurrent Acute Myeloid Leukemia / Refractory Acute Myeloid Leukemia (AML) 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 9.61 mg/mL ALOGPS logP -0.39 ALOGPS logP -1.2 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) 12.45 Chemaxon pKa (Strongest Basic) 2.78 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 139.54 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 68.22 m3·mol-1 Chemaxon Polarizability 27.1 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0019000000-802ec2fa1125f9592de1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00lr-2910000000-873d3f6a5b60de4e16d4 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0910000000-08d55587bcc1896bd755 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00lr-1920000000-4bc12917bb0d03f81f81 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00ai-3930000000-a2984d355977bfd02bfc Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-2900000000-19ed7c344c0d52ad20d1 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 December 15, 2020 18:04 / Updated at December 20, 2020 03:36