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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL250785
CHEMBL250785
Compound Name CINOBUFAGIN
ChEMBL Synonyms Cinobufagin
Max Phase 0
Trade Names
Molecular Formula C26H34O6

Additional synonyms for CHEMBL250785 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5( ...
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Standard InChI InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25 ...
Download InChI
Standard InChI Key SCULJPGYOQQXTK-OLRINKBESA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL250785

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
442.5 442.2355 2.59 3 85.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.85 1.85 0 32 0.68

Structural Alerts

There are 11 structural alerts for CHEMBL250785. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SCULJPGYOQQXTK-OLRINKBESA-N
PubChem SID: 26756912
Wikipedia Cinobufagin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL250785



ACToR 470-37-1
ChEBI 80805
eMolecules 535775
FDA SRS T9PSN4R8IR
KEGG Ligand C16931
MolPort MolPort-003-940-630
Nikkaji J12.037E
PubChem 11969542
SureChEMBL SCHEMBL642990
ZINC ZINC000004215351

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