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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL211501
CHEMBL211501
Compound Name ANTIMYCIN A
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H40N2O9

Additional synonyms for CHEMBL211501 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O) ...
Download SMILES
Standard InChI InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)1 ...
Download InChI
Standard InChI Key UIFFUZWRFRDZJC-SBOOETFBSA-N

Sources

  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Harvard Malaria Screening
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL211501

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
548.6 548.2734 4.2 12 157.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 11 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.28 1.29 4.19 3.97 1 39 0.15

Structural Alerts

There are 10 structural alerts for CHEMBL211501. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UIFFUZWRFRDZJC-SBOOETFBSA-N
PubChem SID: 124883056 SID: 124883058 SID: 26754304 SID: 26754306
Wikipedia Antimycin_A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL211501



ACToR 116095-18-2 1397-94-0 11118-72-2 642-15-9
Atlas antimycin antimycin A
BindingDB 50191588
ChEBI 22584
eMolecules 1935751
EPA CompTox Dashboard DTXSID3058668
FDA SRS 75G3NMU1TS
IBM Patent System B7B8F9BF46B08BA685925127006723D3
Nikkaji J362.669E
PDBe AWB
PubChem 14957
PubChem: Thomson Pharma 15408397
SureChEMBL SCHEMBL218354
ZINC ZINC000005224254

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