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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL280487
CHEMBL280487
Compound Name OKADAIC ACID
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C44H68O13

Additional synonyms for CHEMBL280487 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@ ...
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Standard InChI InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54 ...
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Standard InChI Key QNDVLZJODHBUFM-WFXQOWMNSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL280487. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL280487

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
805 804.466 3.88 10 182.83 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 5 2 13 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.4 9.85 5.53 3.17 0 57 0.2

Compound Cross References

ChemSpider ChemSpider:QNDVLZJODHBUFM-WFXQOWMNSA-N
Wikipedia Okadaic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL280487



BindinDB 50110676
ChEBI 44658
eMolecules 29541199 26750375
Guide to Pharmacology 5349
PDBe OKA
PubChem 446512
PubChem: Thomson Pharma 16018839 14840618
SureChEMBL SCHEMBL131485

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