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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL107514
CHEMBL107514
Compound Name (R)-EDELFOSINE
ChEMBL Synonyms Edelfosine
Max Phase 0
Trade Names
Molecular Formula C27H58NO6P

Additional synonyms for CHEMBL107514 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC
Standard InChI InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19 ...
Download InChI
Standard InChI Key MHFRGQHAERHWKZ-HHHXNRCGSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL107514

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
523.7 523.4002 4.4 27 86.86 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 1 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.2 - 4.25 4.85 0 35 0.09

Structural Alerts

There are 14 structural alerts for CHEMBL107514. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MHFRGQHAERHWKZ-HHHXNRCGSA-N
PubChem SID: 144204776 SID: 26753560 SID: 26753561 SID: 50106207 SID: 90341515
Wikipedia Edelfosine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL107514



ACToR 70641-51-9
BindingDB 86730
Brenda 95625
ChEBI 78653
eMolecules 593096
EPA CompTox Dashboard DTXSID9045766
FDA SRS LZ198HY9OE
MolPort MolPort-003-941-244
PubChem 6918215
PubChem: Drugs of the Future 12014682
PubChem: Thomson Pharma 14934160
SureChEMBL SCHEMBL436257

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MHFRGQHAERHWKZ-HHHXNRCGSA-N spacer
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