Details of the Drug

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]
Affected Organisms
Enterobacter cloacaeEscherichia coliKlebsiella pneumoniaePseudomonas aeruginosaCitrobacter freundiiKlebsiella aerogenesBacteroides caccaeBacteroides fragilisBacteroides ovatusBacteroides stercorisBacteroides thetaiotaomicronBacteroides uniformisBacteroides vulgatusFusobacterium nucleatumParabacteroides distasonisKlebsiella oxytoca
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
UNII
1OQF7TT3PF
DrugBank ID
DB12377
TTD ID
D02VSP
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.