zidebactam   Click here for help

GtoPdb Ligand ID: 10874

Synonyms: WCK-5107 | WCK5107
Compound class: Synthetic organic
Comment: Zidebactam (WCK 5107) is a novel β-lactamase inhibitor [1-2]. It was developed for the treatment of serious infections caused by highly drug-resistant Gram-negative pathogens.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 165.76
Molecular weight 391.12
XLogP -2.56
No. Lipinski's rules broken 0
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Canonical SMILES O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NNC(=O)[C@@H]1CCCNC1
Isomeric SMILES O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NNC(=O)[C@@H]1CCCNC1
InChI InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1
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Molecular structure representations generated using Open Babel