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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL433257
CHEMBL433257
Compound Name HARRINGTONINE
ChEMBL Synonyms NSC-124147
Max Phase 0
Trade Names
Molecular Formula C28H37NO9

Additional synonyms for CHEMBL433257 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CC ...
Download SMILES
Standard InChI InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31) ...
Download InChI
Standard InChI Key HAVJATCHLFRDHY-KSZYUSJVSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL433257

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
531.6 531.2468 2.19 8 123.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.62 6.38 2.08 2.04 1 38 0.48

Structural Alerts

There are 3 structural alerts for CHEMBL433257. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HAVJATCHLFRDHY-KSZYUSJVSA-N
PubChem SID: 417172

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL433257



ACToR 26833-85-2
ChEBI 5626
eMolecules 36756007
FDA SRS 088662H40F
KEGG Ligand C10597
Metabolights MTBLC5626
MolPort MolPort-044-560-208
Nikkaji J48.396F
PubChem 276389
PubChem: Drugs of the Future 12013049
PubChem: Thomson Pharma 15506055 14934430
SureChEMBL SCHEMBL138806
ZINC ZINC000029412110

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