Elinogrel
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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
- Elinogrel
- DrugBank Accession Number
- DB06350
- Background
A P2Y12 inhibitor and platelet aggregation inhibitor.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 523.94
Monoisotopic: 523.0187168 - Chemical Formula
- C20H15ClFN5O5S2
- Synonyms
- Elinogrel
- External IDs
- PRT 060128
- PRT-060128
- PRT060128
Pharmacology
- Indication
Investigated for use/treatment in cardiovascular disorders and myocardial infarction.
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- Pharmacodynamics
Not Available
- Mechanism of action
PRT060128 is a specific, reversible ADP receptor antagonist that binds to the P2Y12 receptor on platelets. PRT06128 prevents binding of adenosine diphosphate (ADP) to its platelet receptor, impairing the ADP-mediated activation of the glycoprotein GPIIb/IIIa complex, a key step in the coagulation cascade. PRT060128 likely has a similar mechanism of action to clopidogrel.
Target Actions Organism UP2Y purinoceptor 12 Not Available Humans - 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 Elinogrel potassium Z3N9GGR982 936501-01-8 PPADHTVWIWCEDE-UHFFFAOYSA-M
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazanaphthalenes
- Sub Class
- Benzodiazines
- Direct Parent
- Quinazolinamines
- Alternative Parents
- N-phenylureas / Sulfonylureas / Secondary alkylarylamines / Pyrimidones / 2,5-disubstituted thiophenes / Aryl chlorides / Aryl fluorides / Vinylogous amides / Organosulfonic acids and derivatives / Aminosulfonyl compounds show 10 more
- Substituents
- 2,5-disubstituted thiophene / Amine / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aryl chloride / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Carbonyl group show 27 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 915Y8E749J
- CAS number
- 936500-94-6
- InChI Key
- LGSDFTPAICUONK-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29)
- IUPAC Name
- 3-[(5-chlorothiophen-2-yl)sulfonyl]-1-{4-[6-fluoro-7-(methylamino)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]phenyl}urea
- SMILES
- CNC1=C(F)C=C2C(NC(=O)N(C2=O)C2=CC=C(NC(=O)NS(=O)(=O)C3=CC=C(Cl)S3)C=C2)=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 17226246
- BindingDB
- 50397204
- ChEMBL
- CHEMBL2103828
- ZINC
- ZINC000043153259
- Wikipedia
- Elinogrel
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Percutaneous Coronary Intervention (PCI) 1 2 Terminated Treatment Myocardial Infarction 1 1 Terminated Treatment Impaired Renal Function 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00327 mg/mL ALOGPS logP 3.24 ALOGPS logP 3.46 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 4.69 Chemaxon pKa (Strongest Basic) 2.01 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 136.71 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 125.95 m3·mol-1 Chemaxon Polarizability 49.7 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsP2Y purinoceptor 12
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Guanyl-nucleotide exchange factor activity
- Specific Function
- Receptor for ADP and ATP coupled to G-proteins that inhibit the adenylyl cyclase second messenger system. Not activated by UDP and UTP. Required for normal platelet aggregation and blood coagulation.
- Gene Name
- P2RY12
- Uniprot ID
- Q9H244
- Uniprot Name
- P2Y purinoceptor 12
- Molecular Weight
- 39438.355 Da
Drug created at March 19, 2008 16:25 / Updated at February 21, 2021 18:52