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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL307747
CHEMBL307747
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H26N2O10

Additional synonyms for CHEMBL307747 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cccc(O)c1C(=O)c2c(O)cc(cc2O)C(=O)O[C@@H]3CCCNC[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29- ...
Download InChI
Standard InChI Key XYUFCXJZFZPEJD-PGRDOPGGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL307747

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
550.5 550.1587 2.15 7 202.72 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 7 2 12 7 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.12 9.13 5.75 2.11 3 40 0.17

Structural Alerts

There are 2 structural alerts for CHEMBL307747. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XYUFCXJZFZPEJD-PGRDOPGGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL307747



BindingDB 50285232
DrugBank DB04098
IBM Patent System EFE4863EFE214FEE37C973E2085091E8
Nikkaji J2.600.912J
PubChem 44308490
SureChEMBL SCHEMBL62129

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