EcoDrugPlus


Synonyms	Avibactam NXL104 Nxl-104 Nxl-104 free acid
Status
Molecule Category	Free-form
UNII	06MFO7817I


InChI Key	NDCUAPJVLWFHHB-UHNVWZDZSA-N
Smiles	NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
InChI	InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1

Property Name	Value
Molecular Formula	C7H11N3O6S
Molecular Weight	265.25
AlogP	-1.53
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	130.24
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	17.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	1.9-128	-	11	50

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Acinetobacter baumannii	-	-	-	27	-
Bacteria	-	1.9-550	-	-	-
Enterobacter cloacae	-	1-252	-	-	-
Escherichia coli	-	13-50	-	0.27-27	-
Klebsiella pneumoniae	-	880	-	-	50
Pseudomonas aeruginosa	-	128-520	-	-	-

Resources	Reference
ChEBI	85984
ChEMBL	CHEMBL1689063
DrugBank	DB09060
DrugCentral	4946
FDA SRS	06MFO7817I
Guide to Pharmacology	10761
PDB	FYG
PubChem	9835049
SureChEMBL	SCHEMBL1666807
ZINC	ZINC000009302239

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

AVIBACTAM

Structure

Physicochemical Descriptors

Pharmacology

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