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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1269107
CHEMBL1269107
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C36H26O8

Additional synonyms for CHEMBL1269107 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(C(=O)c2cc(O)c(O)c(Cc3ccccc3)c2C1=O)C4=C(C)C(=O)c5c(Cc6 ...
Download SMILES
Standard InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23) ...
Download InChI
Standard InChI Key IEJPMWKHSOLTHK-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1269107

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
586.6 586.1628 5.78 5 149.2 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 2 8 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.23 - 11.01 8.77 4 44 0.22

Structural Alerts

There are 8 structural alerts for CHEMBL1269107. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IEJPMWKHSOLTHK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1269107



BindingDB 142756
PubChem: Thomson Pharma 104166796
SureChEMBL SCHEMBL1892299
ZINC ZINC000064527171

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