Elinogrel

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
Thumb
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.

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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.

TargetActionsOrganism
UP2Y purinoceptor 12Not AvailableHumans
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
Adverseeffects
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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

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Product Ingredients
IngredientUNIICASInChI Key
Elinogrel potassiumZ3N9GGR982936501-01-8PPADHTVWIWCEDE-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
ChemSpider
17226246
BindingDB
50397204
ChEMBL
CHEMBL2103828
ZINC
ZINC000043153259
Wikipedia
Elinogrel

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentPercutaneous Coronary Intervention (PCI)1
2TerminatedTreatmentMyocardial Infarction1
1TerminatedTreatmentDeteriorating renal function1

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
PropertyValueSource
Water Solubility0.00327 mg/mLALOGPS
logP3.24ALOGPS
logP3.46ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)4.69ChemAxon
pKa (Strongest Basic)2.01ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area136.71 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity125.95 m3·mol-1ChemAxon
Polarizability49.7 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Targets

Drugtargets2
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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 on March 19, 2008 16:25 / Updated on February 21, 2021 18:52