EcoDrugPlus


Synonyms	Lodoxamide
Status
Molecule Category	Free-form
ATC	S01GX05
UNII	SPU695OD73
EPA CompTox	DTXSID9057767

Synonyms

Lodoxamide

Status

Molecule Category

Free-form

ATC

S01GX05

UNII

SPU695OD73

EPA CompTox

DTXSID9057767


InChI Key	RVGLGHVJXCETIO-UHFFFAOYSA-N
Smiles	N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1
InChI	InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)

InChI Key

RVGLGHVJXCETIO-UHFFFAOYSA-N

Smiles

N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1

InChI

InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)

Property Name	Value
Molecular Formula	C11H6ClN3O6
Molecular Weight	311.64
AlogP	0.26
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	156.59
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C11H6ClN3O6

Molecular Weight

311.64

AlogP

0.26

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

156.59

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

21.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	-	-	-	50-94

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Rattus norvegicus

50-94

Resources	Reference
ChEBI	135333
ChEMBL	CHEMBL1201266
DrugBank	DB06794
DrugCentral	3325
FDA SRS	SPU695OD73
Guide to Pharmacology	9743
PubChem	44564
SureChEMBL	SCHEMBL119881
ZINC	ZINC000002000707

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Guide to Pharmacology

PubChem

SureChEMBL

ZINC

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

LODOXAMIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References