Olumacostat glasaretil
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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
- Olumacostat glasaretil
- DrugBank Accession Number
- DB12642
- Background
Olumacostat glasaretil has been used in trials studying the treatment of Acne Vulgaris.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 481.63
Monoisotopic: 481.303952729 - Chemical Formula
- C26H43NO7
- Synonyms
- Olumacostat glasaretil
- External IDs
- DRM01B
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acid esters
- Alternative Parents
- Furoic acid esters / Alkyl aryl ethers / Tertiary carboxylic acid amides / Heteroaromatic compounds / Carboxylic acid esters / Oxacyclic compounds / Monocarboxylic acids and derivatives / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives show 1 more
- Substituents
- Alkyl aryl ether / Alpha-amino acid ester / Aromatic heteromonocyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid ester / Ether / Furan / Furoic acid ester / Furoic acid or derivatives show 11 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4W6JDK2PLY
- CAS number
- 1261491-89-7
- InChI Key
- FYJLDICZGDFWKP-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H43NO7/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-32-25-18-17-22(34-25)26(30)33-21-23(28)27(3)20-24(29)31-5-2/h17-18H,4-16,19-21H2,1-3H3
- IUPAC Name
- ethyl 2-{N-methyl-2-[5-(tetradecyloxy)furan-2-carbonyloxy]acetamido}acetate
- SMILES
- CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)OCC(=O)N(C)CC(=O)OCC
References
- General References
- Not Available
- External Links
- PubChem Compound
- 89497391
- PubChem Substance
- 347828850
- ChemSpider
- 52083957
- ChEMBL
- CHEMBL3989947
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Acne Vulgaris 3 2 Completed Treatment Acne Vulgaris 1 1, 2 Completed Treatment Acne Vulgaris 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 0.00331 mg/mL ALOGPS logP 6.54 ALOGPS logP 5.84 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 18.4 Chemaxon pKa (Strongest Basic) -3.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 95.28 Å2 Chemaxon Rotatable Bond Count 22 Chemaxon Refractivity 129.38 m3·mol-1 Chemaxon Polarizability 57.06 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No 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 splash10-07wm-9518700000-448ecdb1a0f9bca07e00 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-01q9-4452900000-040532c8b4bb1f2e5c9c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4j-5917200000-2be42cf351508d22a7f2 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03ki-9711300000-d74b8118b57c40c6b9da Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-9511000000-dd39870df13e123690c7 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-4911100000-648c053396595ac59185 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 212.96474 predictedDeepCCS 1.0 (2019) [M+H]+ 216.15834 predictedDeepCCS 1.0 (2019) [M+Na]+ 224.94286 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:24 / Updated at February 21, 2021 18:53