EcoDrugPlus


Synonyms	Didronel Etidronate Etidronic acid M05BA01 NSC-227995
Status
Molecule Category	Free-form
ATC	M05BA01
UNII	M2F465ROXU
EPA CompTox	DTXSID6023028


InChI Key	DBVJJBKOTRCVKF-UHFFFAOYSA-N
Smiles	CC(O)(P(=O)(O)O)P(=O)(O)O
InChI	InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)

Property Name	Value
Molecular Formula	C2H8O7P2
Molecular Weight	206.03
AlogP	-0.99
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	2.0
Polar Surface Area	135.29
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	11.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	3	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Escherichia coli	330	-	-	3	-

Resources	Reference
ChEBI	4907
ChEMBL	CHEMBL871
DrugBank	DB01077
DrugCentral	1098
FDA SRS	M2F465ROXU
Human Metabolome Database	HMDB0015210
Guide to Pharmacology	7184
KEGG	C07736
PDB	911
PharmGKB	PA449548
PubChem	3305
SureChEMBL	SCHEMBL18607
ZINC	ZINC000003830813

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

ETIDRONIC ACID

Structure

Physicochemical Descriptors

Pharmacology

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