ELINOGREL

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 915Y8E749J

Structure
InChI Key LGSDFTPAICUONK-UHFFFAOYSA-N
Smile CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H15ClFN5O5S2
Molecular Weight 523.96
AlogP 3.09
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 142.16
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Purinergic receptor P2Y12 antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Purine receptor
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myocardial Infarction 2 D009203 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 936500-94-6
ChEMBL CHEMBL2103828
DrugBank DB06350
FDA SRS 915Y8E749J
PubChem 16066663
SureChEMBL SCHEMBL160663
ZINC ZINC000043153259
CONTENTS