EcoDrugPlus


Synonyms	Alendronate Alendronic Acid Alendronic acid Binosto Fosamax
Status
Molecule Category	Free-form
ATC	M05BA04
UNII	X1J18R4W8P
EPA CompTox	DTXSID5022568


InChI Key	OGSPWJRAVKPPFI-UHFFFAOYSA-N
Smiles	NCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI	InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)

Property Name	Value
Molecular Formula	C4H13NO7P2
Molecular Weight	249.1
AlogP	-1.27
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	5.0
Polar Surface Area	161.31
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	14.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Transferase	-	50-954.99	-	44.2-393.1	44

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	50-260	-	44.2-393.1	-
Leishmania major	-	950-954.99	-	91-95	-
Mus musculus	-	50-290	-	-	-
Rattus norvegicus	-	100	-	-	-

Resources	Reference
ChEBI	2567
ChEMBL	CHEMBL870
DrugBank	DB00630
DrugCentral	112
FDA SRS	X1J18R4W8P
Human Metabolome Database	HMDB0001915
Guide to Pharmacology	3141
KEGG	C07752
PDB	212
PharmGKB	PA448082
PubChem	2088
SureChEMBL	SCHEMBL18898
ZINC	ZINC000003801919

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

ALENDRONIC ACID

Structure

Physicochemical Descriptors

Pharmacology

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