EcoDrugPlus


Synonyms	FPI-1459 Nacubactam RG-6080 RG6080 RO-7079901 RO7079901
Status
Molecule Category	Free-form
UNII	832O37V7MZ

Synonyms

FPI-1459

Nacubactam

RG-6080

RG6080

RO-7079901

RO7079901

Status

Molecule Category

Free-form

UNII

832O37V7MZ


InChI Key	RSBPYSTVZQAADE-RQJHMYQMSA-N
Smiles	NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
InChI	InChI=1S/C9H16N4O7S/c10-3-4-19-11-8(14)7-2-1-6-5-12(7)9(15)13(6)20-21(16,17)18/h6-7H,1-5,10H2,(H,11,14)(H,16,17,18)/t6-,7+/m1/s1

InChI Key

RSBPYSTVZQAADE-RQJHMYQMSA-N

Smiles

NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O

InChI

InChI=1S/C9H16N4O7S/c10-3-4-19-11-8(14)7-2-1-6-5-12(7)9(15)13(6)20-21(16,17)18/h6-7H,1-5,10H2,(H,11,14)(H,16,17,18)/t6-,7+/m1/s1

Property Name	Value
Molecular Formula	C9H16N4O7S
Molecular Weight	324.32
AlogP	-2.0
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	151.5
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C9H16N4O7S

Molecular Weight

324.32

AlogP

-2.0

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

151.5

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

21.0

Resources	Reference
ChEMBL	CHEMBL3989959
DrugBank	DB15353
FDA SRS	832O37V7MZ
Guide to Pharmacology	10833
SureChEMBL	SCHEMBL17975933
ZINC	ZINC000207610051

Resources

Reference

ChEMBL

CHEMBL3989959

DrugBank

DB15353

FDA SRS

832O37V7MZ

Guide to Pharmacology

10833

SureChEMBL

SCHEMBL17975933

ZINC

ZINC000207610051

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

NACUBACTAM

Structure

Physicochemical Descriptors

Cross References