This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Sotrastaurin
- DrugBank Accession Number
- DB12369
- Background
Sotrastaurin has been used in trials studying the basic science and treatment of Uveal Melanoma, Richter Syndrome, Prolymphocytic Leukemia, Recurrent Mantle Cell Lymphoma, and Recurrent Small Lymphocytic Lymphoma, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Sotrastaurin (DB12369)
- Weight
- Average: 438.4812
Monoisotopic: 438.180423978 - Chemical Formula
- C25H22N6O2
- Synonyms
- Sotrastaurin
- Sotrastaurina
- Sotrastaurinum
- External IDs
- AEB071
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Sotrastaurin acetate R1SIA15KZ1 908351-31-5 RVEUYBMXVVDLFO-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazinanes
- Sub Class
- Piperazines
- Direct Parent
- N-arylpiperazines
- Alternative Parents
- Quinazolinamines / Indoles / Dialkylarylamines / Aminopyrimidines and derivatives / N-methylpiperazines / Maleimides / Substituted pyrroles / Benzenoids / Pyrrolines / N-unsubstituted carboxylic acid imides show 9 more
- Substituents
- Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid imide / Carboxylic acid imide, n-unsubstituted show 25 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7I279E1NZ8
- CAS number
- 425637-18-9
- InChI Key
- OAVGBZOFDPFGPJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
- IUPAC Name
- 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
- SMILES
- CN1CCN(CC1)C1=NC(C2=C(C(=O)NC2=O)C2=CNC3=C2C=CC=C3)=C2C=CC=CC2=N1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 10296883
- PubChem Substance
- 347828620
- ChemSpider
- 8472351
- BindingDB
- 33971
- ChEBI
- 90531
- ChEMBL
- CHEMBL565612
- ZINC
- ZINC000003973984
- PDBe Ligand
- LW4
- PDB Entries
- 3iw4
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Prevention Kidney Transplantation 1 2 Completed Prevention Liver Transplantation 1 2 Completed Treatment Kidney Transplantation 2 2 Completed Treatment Moderate and Severe Plaque Psoriasis 1 2 Completed Treatment Panuveitis / Posterior Uveitis / Uveitis 1 2 Completed Treatment Ulcerative Colitis 1 2 Terminated Treatment Kidney Transplantation 1 2 Withdrawn Treatment B-cell Small Lymphocytic Lymphoma Recurrent / Chronic Lymphocytic Leukemia (CLL) - Refractory / Prolymphocytic Leukaemia (PLL) / Recurrent Mantle Cell Lymphoma / Richter's Syndrome 1 1 Completed Basic Science De Novo Liver Transplantation 1 1 Completed Basic Science Healthy Subjects (HS) 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 0.066 mg/mL ALOGPS logP 3.12 ALOGPS logP 3.27 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 9.66 Chemaxon pKa (Strongest Basic) 7.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 94.22 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 126.14 m3·mol-1 Chemaxon Polarizability 46.82 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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 22:06 / Updated at February 21, 2021 18:53