EcoDrugPlus


Synonyms	(-)-relebactam monohydrate MK-7655 MK-7655 MONOHYDRATE Relebactam Relebactam hydrate Relebactam monohydrate
Status
Molecule Category	Free-form
UNII	1OQF7TT3PF


InChI Key	SMOBCLHAZXOKDQ-ZJUUUORDSA-N
Smiles	O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
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

Property Name	Value
Molecular Formula	C12H20N4O6S
Molecular Weight	348.38
AlogP	-1.14
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	128.28
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	23.0

Mechanism of Action	Action	Reference
Bacterial beta-lactamase TEM inhibitor	INHIBITOR	FDA

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Klebsiella pneumoniae	-	210	-	-	-
Pseudomonas aeruginosa	-	465	-	-	-

Resources	Reference
ChEMBL	CHEMBL3112741
DrugBank	DB12377
DrugCentral	5342
FDA SRS	1OQF7TT3PF
Guide to Pharmacology	10852
PubChem	76900350
SureChEMBL	SCHEMBL17709595
ZINC	ZINC000043206319
ChEMBL	CHEMBL3301605
FDA SRS	Y1MYA2UHFL
Guide to Pharmacology	10852
PubChem	76900350

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

RELEBACTAM

Structure

Physicochemical Descriptors

Pharmacology

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