EcoDrugPlus


Synonyms	Medronate Medronic acid Phosphonic acid, methylenebis- Phosphonic acid, methylenedi-
Status
Molecule Category	Free-form
UNII	73OS0QIN3O
EPA CompTox	DTXSID8045696

Synonyms

Medronate

Medronic acid

Phosphonic acid, methylenebis-

Phosphonic acid, methylenedi-

Status

Molecule Category

Free-form

UNII

73OS0QIN3O

EPA CompTox

DTXSID8045696


InChI Key	MBKDYNNUVRNNRF-UHFFFAOYSA-N
Smiles	O=P(O)(O)CP(=O)(O)O
InChI	InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)

InChI Key

MBKDYNNUVRNNRF-UHFFFAOYSA-N

Smiles

O=P(O)(O)CP(=O)(O)O

InChI

InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)

Property Name	Value
Molecular Formula	CH6O6P2
Molecular Weight	176.0
AlogP	-0.7
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	115.06
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

CH6O6P2

Molecular Weight

176.0

AlogP

-0.7

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

115.06

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

9.0

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

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Hydrolase

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Escherichia coli	350-510	-	-	3	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Escherichia coli

350-510

Resources	Reference
ChEBI	43945
ChEMBL	CHEMBL180570
DrugBank	DB14078
FDA SRS	73OS0QIN3O
PDB	MDN
PubChem	16124
SureChEMBL	SCHEMBL66716
ZINC	ZINC000008015016

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

PDB

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

MEDRONIC ACID

Structure

Physicochemical Descriptors

Pharmacology

Cross References