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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL560976
CHEMBL560976
Compound Name DIBEKACIN
ChEMBL Synonyms DIBEKACIN | DIBEKACIN SULFATE
Max Phase 0
Trade Names
Molecular Formula C18H37N5O8

Additional synonyms for CHEMBL560976 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H]( ...
Download SMILES
Standard InChI InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9( ...
Download InChI
Standard InChI Key JJCQSGDBDPYCEO-XVZSLQNASA-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


CHEMBL560976

Molecule Features

CHEMBL560976 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 DIBEKACIN
The Cochrane Collaboration DIBEKACIN

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
451.5 451.2642 -5.27 6 247.94 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 9 2 13 14 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.07 9.52 -3.58 -9.01 0 31 0.18

Structural Alerts

There are 2 structural alerts for CHEMBL560976. 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
J01GB09 - dibekacin

ChemSpider ChemSpider:JJCQSGDBDPYCEO-XVZSLQNASA-N
PubChem SID: 144205049
Wikipedia Dibekacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL560976



ACToR 34493-98-6
Brenda 93179 6512 96405
ChEBI 37945
DrugCentral 855
EPA CompTox Dashboard DTXSID2022915
FDA SRS 45ZFO9E525
IBM Patent System C30A51EC9A075CA379DE541F6D82F90C
Nikkaji J94.714H
PDBe 84D
PubChem 470999
PubChem: Thomson Pharma 14906545
SureChEMBL SCHEMBL49816
ZINC ZINC000008214383

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