Synonyms
Status
Molecule Category Free-form
UNII 1C75676F8V

Structure

InChI Key IOOWNWLVCOUUEX-WPRPVWTQSA-N
Smiles O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)B(O)O1
InChI
InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16BNO5S
Molecular Weight 297.14

Pharmacology

Mechanism of Action Action Reference
Carbepenem-hydrolyzing beta-lactamase KPC inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 56 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacteria
- 90-440 - 29-29 -
Escherichia coli
- - - 21-140 -
Klebsiella pneumoniae
- 35 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3317857
DrugBank DB12107
DrugCentral 5253
FDA SRS 1C75676F8V
Guide to Pharmacology 10871
PDB 4D6
PubChem 56649692
SureChEMBL SCHEMBL620289