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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL591251
CHEMBL591251
Compound Name SABARUBICIN
ChEMBL Synonyms SABARUBICIN | MEN-10755
Max Phase 2
Trade Names
Molecular Formula C32H37NO13

Additional synonyms for CHEMBL591251 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@@H]2[C@@H](O)C[C@H](O[C ...
Download SMILES
Standard InChI InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2) ...
Download InChI
Standard InChI Key VQHRZZISQVWPLK-LLKZIRPDSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL591251

Molecule Features

CHEMBL591251 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SABARUBICIN
The Cochrane Collaboration SABARUBICIN

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
643.6 643.2265 -0.12 6 235.52 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 7 3 14 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.75 8.68 1.69 .19 2 46 0.2

Structural Alerts

There are 10 structural alerts for CHEMBL591251. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VQHRZZISQVWPLK-LLKZIRPDSA-N
Wikipedia Sabarubicin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL591251



PubChem 46233105
ZINC ZINC000049746312

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