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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1689063
CHEMBL1689063
Compound Name AVIBACTAM
ChEMBL Synonyms AVIBACTAM | NXL-104 | AVIBACTAM SODIUM | NXL104
Max Phase 4 (Approved)
Trade Names NXL-104
Molecular Formula C7H11N3O6S

Additional synonyms for CHEMBL1689063 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
Standard InChI InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13 ...
Download InChI
Standard InChI Key NDCUAPJVLWFHHB-UHNVWZDZSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1689063

Molecule Features

CHEMBL1689063 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial beta-lactamase TEM inhibitor Bacterial beta-lactamase TEM FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Intraabdominal InfectionsD0594134DailyMed
PneumoniaD011014EFO:0003106pneumonia3ClinicalTrials
Systemic Inflammatory Response SyndromeD018746EFO:1001478systemic inflammatory response syndrome1ClinicalTrials
PyelonephritisD011704EFO:1001141pyelonephritis4DailyMed
InfectionD007239EFO:0000544infection3ClinicalTrials
Urinary Tract InfectionsD014552EFO:0003103urinary tract infection4DailyMed
ClinicalTrials

Clinical Data

ClinicalTrials.gov AVIBACTAM
The Cochrane Collaboration AVIBACTAM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1689063. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL5031 Beta-lactamase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5031 Beta-lactamase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
265.3 265.0369 -1.53 3 130.24 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-4.59 - -1.87 -5.37 0 17 0.6

Structural Alerts

There are 5 structural alerts for CHEMBL1689063. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NDCUAPJVLWFHHB-UHNVWZDZSA-N
DailyMed avibactam sodium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1689063



BindingDB 50339145
Brenda 206594 206585
ChEBI 85984
DrugBank DB09060
DrugCentral 4946
FDA SRS 7352665165
MolPort MolPort-046-418-171
Nikkaji J3.098.586I
PubChem 90333665 9835049
PubChem: Thomson Pharma 14795217
SureChEMBL SCHEMBL1666807 SCHEMBL15942023
ZINC ZINC000009302239

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