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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL176
CHEMBL176
Compound Name BEKANAMYCIN
ChEMBL Synonyms Klebcil | Kantrex | BEKANAMYCIN SULFATE | KANAMYCIN B | AMINODEOXYKANAMYCIN | BEKANAMYCIN | NK 1006
Max Phase 0
Trade Names
Molecular Formula C18H37N5O10

Additional synonyms for CHEMBL176 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H ...
Download SMILES
Standard InChI InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15- ...
Download InChI
Standard InChI Key SKKLOUVUUNMCJE-FQSMHNGLSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL176

Molecule Features

CHEMBL176 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials

Clinical Data

ClinicalTrials.gov BEKANAMYCIN
The Cochrane Collaboration BEKANAMYCIN

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
483.5 483.254 -7.33 6 288.4 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
15 11 2 15 16 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.07 9.52 -4.01 -8.92 0 33 0.17

Structural Alerts

There are 2 structural alerts for CHEMBL176. 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
J01GB13 - bekanamycin

ChemSpider ChemSpider:SKKLOUVUUNMCJE-FQSMHNGLSA-N
PubChem SID: 144206745
Wikipedia Bekanamycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL176



ACToR 4696-76-8
BindingDB 50368267
Brenda 111998 3078
ChEBI 28098
DrugCentral 1520
EPA CompTox Dashboard DTXSID8023185
FDA SRS 15JT14C3GI
IBM Patent System E098A001F4F72C8A9FBE7755DE97FA5D
KEGG Ligand C00825
MolPort MolPort-006-116-395
Nikkaji J8.763G
PDBe 9CS
PubChem 439318
PubChem: Thomson Pharma 14985368
SureChEMBL SCHEMBL158426
ZINC ZINC000053132258

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