APTO-253
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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
- APTO-253
- DrugBank Accession Number
- DB17143
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 367.387
Monoisotopic: 367.123323634 - Chemical Formula
- C22H14FN5
- Synonyms
- 1h-imidazo(4,5-f)(1,10)phenanthroline, 2-(5-fluoro-2-methyl-1h-indol-3-yl)-
- 2-(5-fluoro-2-methyl-1h-indol-3-yl)-1h-imidazo(4,5-f)(1,10)phenanthroline
- 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10] phenanthroline
- Lor-253(former code)
- Lt-253(former code)
- External IDs
- APTO-253
- LOR-253
- LT-253
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
- WB59MRW00U
- CAS number
- 916151-99-0
- InChI Key
- NIRXBXIPHUTNNI-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H14FN5/c1-11-17(15-10-12(23)6-7-16(15)26-11)22-27-20-13-4-2-8-24-18(13)19-14(21(20)28-22)5-3-9-25-19/h2-10,26H,1H3,(H,27,28)
- IUPAC Name
- 5-fluoro-3-{1H-imidazo[4,5-f]1,10-phenanthrolin-2-yl}-2-methyl-1H-indole
- SMILES
- CC1=C(C2=NC3=C(N2)C2=CC=CN=C2C2=C3C=CC=N2)C2=C(N1)C=CC(F)=C2
References
- General References
- Not Available
- External Links
- ChemSpider
- 10134517
- ChEMBL
- CHEMBL4297261
- ZINC
- ZINC000137222115
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Advanced or Metastatic Solid Tumours 1 1 Terminated Treatment Acute Myeloid Leukemia / Adult Acute Myeloid Leukemia / High Risk Myelodysplasia / Relapsed Acute Myelogenous Leukemia (AML) / Relapsed Adult Acute Myeloid Leukemia 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 0.00714 mg/mL ALOGPS logP 4.17 ALOGPS logP 4.04 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 10.72 Chemaxon pKa (Strongest Basic) 4.54 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 70.25 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 114.37 m3·mol-1 Chemaxon Polarizability 39.22 Å3 Chemaxon Number of Rings 6 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 November 19, 2022 00:03 / Updated at July 18, 2023 22:58