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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL448615
CHEMBL448615
Compound Name MIDECAMYCIN A1
ChEMBL Synonyms Midecamycin A1
Max Phase 0
Trade Names
Molecular Formula C41H67NO15

Additional synonyms for CHEMBL448615 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)[C@H]1[C@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]2[C@@H](C)O[ ...
Download SMILES
Standard InChI InChI=1S/C41H67NO15/c1-11-30(45)55-29-21-31(46)52-24(4)16-14 ...
Download InChI
Standard InChI Key HPOWGVGWZOOCEO-XEUHAXRQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL448615

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
814 813.4511 2.62 12 206.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 3 2 16 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.06 7.4 5.25 5 0 57 0.15

Structural Alerts

There are 10 structural alerts for CHEMBL448615. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HPOWGVGWZOOCEO-XEUHAXRQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL448615



PubChem 44588071
ZINC ZINC000169361008

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