Elraglusib
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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
- Elraglusib
- DrugBank Accession Number
- DB16047
- Background
Elraglusib is under investigation in clinical trial NCT04218071 (Actuate 1901: 9-ING-41 in Myelofibrosis).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 404.353
Monoisotopic: 404.08084969 - Chemical Formula
- C22H13FN2O5
- Synonyms
- 1H-Pyrrole-2,5-dione, 3-(5-fluoro-3-benzofuranyl)-4-(5-methyl-5H-1,3-dioxolo(4,5-F)indol-7-yl)-
- 3-(5-Fluoro-benzofuran-3-yl)-4-(5-methyl-5H-(1,3)dioxolo(4,5-F)indol-7-yl)-pyrrole-2,5-dione
- External IDs
- 9-ING-41
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
- 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
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Acute T Cell Leukemia Lymphoma / Bone Cancer / Bone Metastases / Bone Neoplasm / Breast Neoplasms / Cancer / Colorectal Neoplasms / Lung Neoplasm / Malignancies Multiple / Malignant Glioma / Metastatic Cancer / Pancreatic Adenocarcinoma / Pancreatic Cancer / Pancreatic Neoplasms / Refractory Cancer / Refractory Neoplasms / Refractory Non-Hodgkin's lymphoma / Renal Cancer / Resistant Cancer / Sarcomas 1 2 Active Not Recruiting Treatment Pancreatic Adenocarcinoma 1 2 Completed Treatment Myelofibrosis 1 2 Recruiting Treatment Adenoid Cystic Carcinoma / Metastatic Cancer / Recurrent Salivary Gland Cancer / Salivary Gland Cancers 1 2 Recruiting Treatment Pancreatic Adenocarcinoma / Pancreatic Adenocarcinoma Metastatic 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 0.0352 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0000900000-509bd33938893bf2f511 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-f247bd24709ec01f1824 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0000900000-18d55af6e36a5ce9472b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-134b62b0d2f5b5026435 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0109100000-f49040d9cf5328e42d6e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0pc3-4009500000-637fc385edbf3f72101e 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 18:03 / Updated at December 01, 2022 11:30