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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL520780
CHEMBL520780
Compound Name VALIDAMYCIN A
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H35NO13

Additional synonyms for CHEMBL520780 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1C[C@H](N[C@@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H] ...
Download SMILES
Standard InChI InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7 ...
Download InChI
Standard InChI Key JARYYMUOCXVXNK-UDALTGORSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL520780

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
497.5 497.2108 -5.77 7 253.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 12 2 14 12 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.92 6.93 -5.95 -6.08 0 34 0.15

Structural Alerts

There are 3 structural alerts for CHEMBL520780. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JARYYMUOCXVXNK-UDALTGORSA-N
Wikipedia Validamycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL520780



PubChem 44568492
ZINC ZINC000042887652

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