EcoDrugPlus


Synonyms	Edetate Edetic Acid Edetic acid Edta Ethylenebis(iminodiacetic acid) Versene acid
Status
Molecule Category	Free-form
UNII	9G34HU7RV0
EPA CompTox	DTXSID6022977


InChI Key	KCXVZYZYPLLWCC-UHFFFAOYSA-N
Smiles	O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI	InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)

Property Name	Value
Molecular Formula	C10H16N2O8
Molecular Weight	292.24
AlogP	-2.07
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	11.0
Polar Surface Area	155.68
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	20.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily	-	-	-	-	70
Enzyme	-	-	-	-	100
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	81.77-82.24

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bacteria	-	-	-	-	84-87
Cricetulus griseus	-	-	-	-	81.77-82.24
Homo sapiens	-	-	-	-	70-100

Resources	Reference
ChEBI	42191
ChEMBL	CHEMBL858
DrugBank	DB00974
DrugCentral	987
FDA SRS	9G34HU7RV0
Human Metabolome Database	HMDB0015109
KEGG	C00284
PDB	EDT
PharmGKB	PA449439
PubChem	6049
SureChEMBL	SCHEMBL1373
ZINC	ZINC000019364242

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

EDETIC ACID

Structure

Physicochemical Descriptors

Pharmacology

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