This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ruboxistaurin
- DrugBank Accession Number
- DB11829
- Background
Ruboxistaurin has been investigated for the basic science of Type 2 Diabetes Mellitus and Type 1 Diabetes Mellitus.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Ruboxistaurin (DB11829)
- Weight
- Average: 468.5469
Monoisotopic: 468.216140782 - Chemical Formula
- C28H28N4O3
- Synonyms
- Ruboxistaurin
- External IDs
- LY 333531
- LY-333531
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 Ruboxistaurin hydrochloride 6496V4OCZN 169939-93-9 NYQIEYDJYFVLPO-FERBBOLQSA-N Ruboxistaurin mesylate 6V860VW8AO 192050-59-2 DUHQBKLTAVUXFF-FERBBOLQSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Macrolactams
- Sub Class
- Not Available
- Direct Parent
- Macrolactams
- Alternative Parents
- Indoles / Maleimides / Benzenoids / Pyrrolines / Pyrroles / Dicarboximides / N-unsubstituted carboxylic acid imides / Heteroaromatic compounds / Trialkylamines / Amino acids and derivatives show 7 more
- Substituents
- Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid imide / Carboxylic acid imide, n-unsubstituted / Dialkyl ether show 20 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 721809WQCP
- CAS number
- 169939-94-0
- InChI Key
- ZCBUQCWBWNUWSU-SFHVURJKSA-N
- InChI
- InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
- IUPAC Name
- (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.1^{7,14}.0^{2,6}.0^{8,13}.0^{22,27}]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione
- SMILES
- CN(C)C[C@@H]1CCN2C=C(C3=C2C=CC=C3)C2=C(C(=O)NC2=O)C2=CN(CCO1)C1=C2C=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 153999
- PubChem Substance
- 347828175
- ChemSpider
- 135727
- BindingDB
- 50128281
- ChEMBL
- CHEMBL91829
- ZINC
- ZINC000003812168
- PDBe Ligand
- LY4
- Wikipedia
- Ruboxistaurin
- PDB Entries
- 1uu3 / 2j2i
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Diabetes Mellitus, Insulin Dependent / Diabetes Mellitus, Noninsulin Dependent / Diabetic Neuropathies 2 3 Completed Treatment Diabetes Mellitus / Diabetic Neuropathies 1 3 Completed Treatment Diabetic Macular Edema (DME) 1 3 Completed Treatment Diabetic Retinopathy (DR) 3 3 Completed Treatment Type 1 Diabetes Mellitus 1 2 Completed Treatment Diabetes Mellitus 1 2 Completed Treatment Diabetic Nephropathy 1 2 Completed Treatment Diabetic Neuropathies 1 2, 3 Completed Basic Science Type 1 Diabetes Mellitus / Type 2 Diabetes Mellitus 1 1 Completed Treatment Diabetes Mellitus 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 0.0475 mg/mL ALOGPS logP 3.66 ALOGPS logP 2.98 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 9.76 Chemaxon pKa (Strongest Basic) 8.75 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 68.5 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 135.85 m3·mol-1 Chemaxon Polarizability 51.16 Å3 Chemaxon Number of Rings 6 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 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 20:51 / Updated at February 21, 2021 18:53