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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1230961
CHEMBL1230961
Compound Name
ChEMBL Synonyms Apramycin
Max Phase 0
Trade Names
Molecular Formula C21H41N5O11

Additional synonyms for CHEMBL1230961 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@ ...
Download SMILES
Standard InChI InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(3 ...
Download InChI
Standard InChI Key XZNUGFQTQHRASN-XQENGBIVSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1230961

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
539.6 539.2803 -6.95 6 283.64 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.91 9.48 -3.43 -7.56 0 37 0.15

Structural Alerts

There are 2 structural alerts for CHEMBL1230961. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XZNUGFQTQHRASN-XQENGBIVSA-N
PubChem SID: 144204190
Wikipedia Apramycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1230961



ACToR 37321-09-8
ChEBI 2790
DrugBank DB04626
EPA CompTox Dashboard DTXSID5045465
FDA SRS 388K3TR36Z
IBM Patent System 5630C8FC36EB5D6E5CA1098BCE230772
KEGG Ligand C01555
MolPort MolPort-003-983-409
PDBe AM2
PubChem 3081545
SureChEMBL SCHEMBL18388
ZINC ZINC000008214486

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