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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL272080
CHEMBL272080
Compound Name ISEPAMICIN
ChEMBL Synonyms ISEPAMICIN SULFATE | SCH 21420 | ISEPAMICIN
Max Phase 0
Trade Names
Molecular Formula C22H43N5O12

Additional synonyms for CHEMBL272080 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H ...
Download SMILES
Standard InChI InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17 ...
Download InChI
Standard InChI Key UDIIBEDMEYAVNG-ZKFPOVNWSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL272080

Molecule Features

CHEMBL272080 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 ISEPAMICIN
The Cochrane Collaboration ISEPAMICIN

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
569.6 569.2908 -7.52 9 297.72 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 12 3 17 15 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.01 9.52 -4.68 -9.41 0 39 0.12

Structural Alerts

There are 3 structural alerts for CHEMBL272080. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01G - AMINOGLYCOSIDE ANTIBACTERIALS
J01GB - Other aminoglycosides
J01GB11 - isepamicin

ChemSpider ChemSpider:UDIIBEDMEYAVNG-ZKFPOVNWSA-N
Wikipedia Isepamicin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL272080



DrugCentral 1486
eMolecules 30512694
FDA SRS G7K224460P
Human Metabolome Database HMDB0041911
Nikkaji J22.232A
PubChem 3037209
PubChem: Drugs of the Future 12012802
Selleck isepamicin
SureChEMBL SCHEMBL18763321
ZINC ZINC000008214585

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