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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL426926
CHEMBL426926
Compound Name ARBEKACIN
ChEMBL Synonyms ARBEKACIN SULFATE | ARBEKACIN
Max Phase 0
Trade Names
Molecular Formula C22H44N6O10

Additional synonyms for CHEMBL426926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[ ...
Download SMILES
Standard InChI InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37 ...
Download InChI
Standard InChI Key MKKYBZZTJQGVCD-XTCKQBCOSA-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


CHEMBL426926

Molecule Features

CHEMBL426926 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 ARBEKACIN
The Cochrane Collaboration ARBEKACIN

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
552.6 552.3119 -6.4 10 297.27 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
15 11 3 16 16 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.07 9.52 -4.24 -10.67 0 38 0.12

Structural Alerts

There are 3 structural alerts for CHEMBL426926. 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
J01GB12 - arbekacin

ChemSpider ChemSpider:MKKYBZZTJQGVCD-XTCKQBCOSA-N
PubChem SID: 50112783

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL426926



ACToR 51025-85-5 52444-06-1
ChEBI 37922
DrugBank DB06696
DrugCentral 235
EPA CompTox Dashboard DTXSID8048319
FDA SRS G7V6SLI20L
Guide to Pharmacology 7345
Human Metabolome Database HMDB0015642
IBM Patent System F03B097F273B1D4E9DA74CBF2F4AA252
Nikkaji J33.173B
PDBe 84G
PubChem 68682
PubChem: Drugs of the Future 12012746
PubChem: Thomson Pharma 15012131
SureChEMBL SCHEMBL18413
ZINC ZINC000009575047

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