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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201283
CHEMBL1201283
Compound Name POLYMYXIN B
ChEMBL Synonyms AEROSPORIN | POLYMYCIN B SULFATE | Polymyxin b | Thiosporin | POLY-RX | POLYMYXIN B SULFATE
Max Phase 0
Trade Names
Molecular Formula C56H98N16O13

Additional synonyms for CHEMBL1201283 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@ ...
Download SMILES
Standard InChI InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-2 ...
Download InChI
Standard InChI Key WQVJHHACXVLGBL-BPJDFBQWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1201283

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
1203.5 1202.7499 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL1201283

Compound Cross References

ChemSpider ChemSpider:WQVJHHACXVLGBL-BPJDFBQWSA-N
Wikipedia Polymyxin_B

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201283



BindingDB 50410807
Brenda 38997
PubChem 49800004

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