enmetazobactam   Click here for help

GtoPdb Ligand ID: 12188

Synonyms: AAI101 | OCID-5090
Compound class: Synthetic organic
Comment: Enmetazobactam is an extended-spectrum β-lactamase inhibitor. It is an N-methylated tazobactam derivative, under clinical development for use alongside β-lactam-containing antibacterial compounds to reduce their lactamase-induced degradation.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 124.66
Molecular weight 314.07
XLogP -1.75
No. Lipinski's rules broken 0
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Canonical SMILES [O-]C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1cc[n+](n1)C
Isomeric SMILES C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])Cn1cc[n+](n1)C
InChI InChI=1S/C11H14N4O5S/c1-11(6-14-4-3-13(2)12-14)9(10(17)18)15-7(16)5-8(15)21(11,19)20/h3-4,8-9H,5-6H2,1-2H3/t8-,9+,11+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10913 enmetazobactam
Synonyms Click here for help
AAI101 | OCID-5090
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Enmetazobactam, AAI101, OCID 5090
Other databases
CAS Registry No. 1001404-83-6 (source: Scifinder)
ChEMBL Ligand CHEMBL4458276
GtoPdb PubChem SID 472319310
PubChem CID 23653540
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