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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501259
CHEMBL501259
Compound Name ERITORAN
ChEMBL Synonyms B1287 | ERITORAN | E5564 | 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[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[C@@ ...
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

Molecule Features

CHEMBL501259 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

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 Heading MESH ID EFO ID EFO Term Max phase for indication References
LEUKEMIAD007938EFO:0000565LEUKEMIA1ClinicalTrials
SEPSISD018805EFO:0001420SEPSIS3ClinicalTrials

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:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/BPSMYQFMCXXNPC-MFCPCZTFSA-N spacer
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