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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105907
CHEMBL2105907
Compound Name AZIDOCILLIN
ChEMBL Synonyms BRL 2534 | AZIDOCILLIN | SPC 297 D
Max Phase 0
Trade Names
Molecular Formula C16H17N5O4S

Additional synonyms for CHEMBL2105907 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=[N+]=[N-])c3ccccc3)C(=O)N2 ...
Download SMILES
Standard InChI InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)2 ...
Download InChI
Standard InChI Key ODFHGIPNGIAMDK-NJBDSQKTSA-N

Sources

  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2105907

Molecule Features

CHEMBL2105907 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov AZIDOCILLIN
The Cochrane Collaboration AZIDOCILLIN

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2105907. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.241

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
375.4 375.1001 1.67 5 135.47 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 - 2.28 -1.45 1 26 0.35

Structural Alerts

There are 15 structural alerts for CHEMBL2105907. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01C - BETA-LACTAM ANTIBACTERIALS, PENICILLINS
J01CE - Beta-lactamase sensitive penicillins
J01CE04 - azidocillin

ChemSpider ChemSpider:ODFHGIPNGIAMDK-NJBDSQKTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105907



ACToR 17243-38-8
ChEBI 51758
DrugBank DB08795
DrugCentral 273
FDA SRS R8XDP7L3SL
Human Metabolome Database HMDB0015685
IBM Patent System 6EBF62EDD91FE58F12E77527FB28D797
PubChem 15574941
SureChEMBL SCHEMBL34005
ZINC ZINC000008214496

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