AZTREONAM

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01DF01
UNII G2B4VE5GH8

Structure

InChI Key WZPBZJONDBGPKJ-VEHQQRBSSA-N
Smiles C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
InChI
InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17N5O8S2
Molecular Weight 435.44
AlogP -1.17
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 201.58
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 6-32 - 7 -
Transporter
- 6 - - -
Unclassified protein
- 60 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Acinetobacter baumannii
- - - 7 -
Enterobacter cloacae
- - - 1 -
Escherichia coli
- 23-60 - 2.1-17 -
Klebsiella pneumoniae
- 6 - - -
Pseudomonas aeruginosa
- 8-8 - - 30-95
Salmonella enterica subsp. enterica serovar Newport
- 6 - - -

Cross References

Resources Reference
ChEBI 161680
ChEMBL CHEMBL158
DrugBank DB00355
DrugCentral 279
FDA SRS G2B4VE5GH8
Human Metabolome Database HMDB0014499
Guide to Pharmacology 10763
PDB AZR
PubChem 5742832
SureChEMBL SCHEMBL37511
ZINC ZINC000003830264
CONTENTS