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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] ...
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Standard InChI InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7 ...
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Standard InChI Key JARYYMUOCXVXNK-UDALTGORSA-N

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:JARYYMUOCXVXNK-UDALTGORSA-N
Wikipedia Validamycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL520780



PubChem 44568492

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