This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- 9-ING-41
- DrugBank Accession Number
- DB16047
- Background
9-ING-41 is under investigation in clinical trial NCT04218071 (Actuate 1901: 9-ING-41 in Myelofibrosis).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for 9-ING-41 (DB16047)
- Weight
- Average: 404.353
Monoisotopic: 404.08084969 - Chemical Formula
- C22H13FN2O5
- Synonyms
- Not Available
- External IDs
- 9-ING-41
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- ND1SOF0DLU
- CAS number
- 1034895-42-5
- InChI Key
- FARXPFGGGGLENU-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)
- IUPAC Name
- 3-(5-fluoro-1-benzofuran-3-yl)-4-{5-methyl-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
- SMILES
- CN1C=C(C2=C1C=C1OCOC1=C2)C1=C(C(=O)NC1=O)C1=COC2=CC=C(F)C=C12
References
- General References
- Not Available
- External Links
- ChemSpider
- 24701488
- BindingDB
- 50267716
- ChEMBL
- CHEMBL483465
- ZINC
- ZINC000040413912
Clinical Trials
- Clinical Trials
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 0.0352 mg/mL ALOGPS logP 3.57 ALOGPS logP 2.95 ChemAxon logS -4.1 ALOGPS pKa (Strongest Acidic) 9.86 ChemAxon pKa (Strongest Basic) -3 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 82.7 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 103.06 m3·mol-1 ChemAxon Polarizability 39.41 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
- Not Available
Drug created at December 15, 2020 18:03 / Updated at December 20, 2020 03:35