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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL88337
CHEMBL88337
Compound Name
ChEMBL Synonyms LY-282210
Max Phase 0
Trade Names
Molecular Formula C30H28O10

Additional synonyms for CHEMBL88337 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1cc(C(=O)C)c(O)cc1OCCCOc2ccc3C(=O)c4cc(ccc4Oc3c2CCC(=O)O) ...
Download SMILES
Standard InChI InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-1 ...
Download InChI
Standard InChI Key HGMXXGVRUCAMMK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL88337

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
548.5 548.1682 4.83 12 156.65 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 3 1 10 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.88 - 4.92 .2 3 40 0.21

Structural Alerts

There are 3 structural alerts for CHEMBL88337. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HGMXXGVRUCAMMK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL88337



BindingDB 50029482
PubChem 9893718
PubChem: Thomson Pharma 14861506
ZINC ZINC000003932622

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