General Information of Drug (ID: DMLMV0O)

Drug Name
MK-7655
Synonyms
Relebactam; 1174018-99-5; Relebactam anhydrous; MK-7655; UNII-1OQF7TT3PF; 1OQF7TT3PF; CHEMBL3112741; Sulfuric acid, mono[(1R,2S,5R)-7-oxo-2-[(4-piperidinylamino)carbonyl]-1,6-diazabicyclo[3.2.1]oct-6-yl] ester; Relebactam [INN]; MK7655; MK 7655; (-)-Relebactam anhydrous; BDBM1858; SCHEMBL3721178; EX-A864; SMOBCLHAZXOKDQ-ZJUUUORDSA-N; MolPort-044-723-879; MK-7655A; ZINC43206319; BDBM50447651; AKOS027338697; SB16968; DB12377; CS-5391; Sulfuric acid mono-((2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diaza-bicyclo(3.2.1)oct-6-yl) est
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 348.38
Logarithm of the Partition Coefficient (xlogp) -3.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
ADMET Property
Clearance
The total clearance of drug is 130-150 mL/min []
Half-life
The concentration or amount of drug in body reduced by one-half in 1.2 hours [2]
Metabolism
The drug is not metabolised []
Chemical Identifiers
Formula
C12H20N4O6S
IUPAC Name
[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Canonical SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3
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
InChIKey
SMOBCLHAZXOKDQ-ZJUUUORDSA-N
Cross-matching ID
PubChem CID
44129647
CAS Number
1174018-99-5
DrugBank ID
DB12377
TTD ID
D02VSP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Beta-lactamase (Stap-coc blaZ) TTHI19T BLAC_STAAU Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of Merck (May 7, 2015).
2 Pharmacokinetics, Safety, and Tolerability of Single and Multiple Doses of Relebactam, a beta-Lactamase Inhibitor, in Combination with Imipenem and Cilastatin in Healthy Participants. Antimicrob Agents Chemother. 2018 Aug 27;62(9). pii: AAC.00280-18. doi: 10.1128/AAC.00280-18. Print 2018 Sep.
3 Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin . Bioorg Med Chem Lett. 2014 Feb 1;24(3):780-5.