VABORBACTAM

Search structure
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1C75676F8V

Structure
InChI Key IOOWNWLVCOUUEX-WPRPVWTQSA-N
Smile 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
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Carbepenem-hydrolyzing beta-lactamase KPC inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 56 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Tract Infections 4 D014552 FDA
Bacterial Infections 1 D001424 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials

Cross References

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