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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1235246
CHEMBL1235246
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H54NO7P

Additional synonyms for CHEMBL1235246 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
Standard InChI InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19 ...
Download InChI
Standard InChI Key HVAUUPRFYPCOCA-AREMUKBSSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1235246

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
523.7 523.3638 5.62 25 94.12 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 2 8 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.19 - 3.44 4.04 0 35 0.07

Structural Alerts

There are 15 structural alerts for CHEMBL1235246. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HVAUUPRFYPCOCA-AREMUKBSSA-N
PubChem SID: 26754980 SID: 26754981

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1235246



ACToR 74389-68-7
BindingDB 85035
ChEBI 44811
DrugBank DB02261
eMolecules 593605
EPA CompTox Dashboard DTXSID00225377
FDA SRS 42EWD89I80
Guide to Pharmacology 1833 1831
Human Metabolome Database HMDB0062195
LipidMaps LMGP01020046
MolPort MolPort-003-925-142
PDBe PFS
PubChem 108156
PubChem: Thomson Pharma 16102959
Rhea 44811
SureChEMBL SCHEMBL433361

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