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Compound Report Card

ChEMBL

ChEMBL Statistics Loading Statistics... ChEMBL Blog EBI Databases Small Molecules ChEMBL Database CHEMBL501259

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501259
CHEMBL501259 Compound Name ERITORAN ChEMBL Synonyms E5564 | B1287 | Eritoran | ERITORAN TETRASODIUM Max Phase 3 Trade Names Molecular Formula C66H126N2O19P2
Additional synonyms for CHEMBL501259 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile Canonical SMILES CCCCCCCCCCCC(=O)CC(=O)N[[email protected]]1[[email protected]@H](OP(=O)(O)O)O[[email protected]](CO[[email protected]@ ...
Download SMILES Standard InChI InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-3 ...
Download InChI Standard InChI Key BPSMYQFMCXXNPC-MFCPCZTFSA-N

Sources

  • Clinical Candidates
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL501259
CHEMBL3301672

Molecule Features

Mechanism of Action

Mechanism of Action ChEMBL Target References Toll-like receptor 4/MD-2 antagonist Toll-like receptor 4/MD-2 PubMed PubMed

Indications

MESH HeadingMESH IDEFO IDEFO TermMax phase for indicationReferencesSepsis D018805 HP:0100806 sepsis 3 ClinicalTrials
Leukemia D007938 EFO:0000565 leukemia 1 ClinicalTrials

Clinical Data

ClinicalTrials.gov ERITORAN The Cochrane Collaboration ERITORAN

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species 1313.7 1312.843 - - - -

HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski) - - - - - -

ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted - - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL501259

Compound Cross References

ChemSpider ChemSpider:BPSMYQFMCXXNPC-MFCPCZTFSA-N Wikipedia Eritoran

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501259

ACToR 185955-34-4 BindingDB 50274760 ChEBI 68609 DrugBank DB04933 FDA SRS 551541VI0Y Guide to Pharmacology 4919 Nikkaji J2.041.121J PDBe E55 PubChem 6912404 PubChem: Thomson Pharma 14890603 14768416 SureChEMBL SCHEMBL10042156
UniChem REST Service Call:
[www.ebi.ac.uk]

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