relebactam   Click here for help

GtoPdb Ligand ID: 10852

Synonyms: MK-7655 | MK-7655A | MK7655
Approved drug
relebactam is an approved drug (FDA (2019), EMA (2020))
Compound class: Synthetic organic
Comment: Relebactam is a β-lactamase inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 136.66
Molecular weight 348.11
XLogP -2.53
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1
Isomeric SMILES O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1
InChI InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1
InChI Key SMOBCLHAZXOKDQ-ZJUUUORDSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2019), EMA (2020))
IUPAC Name Click here for help
[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
International Nonproprietary Names Click here for help
INN number INN
10027 relebactam
Synonyms Click here for help
MK-7655 | MK-7655A | MK7655
Database Links Click here for help
CAS Registry No. 1174018-99-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL3112741
DrugBank Ligand DB12377
DrugCentral Ligand 5342
GtoPdb PubChem SID 405560293
PubChem CID 44129647
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