IBANDRONIC ACID


Synonyms	Bondenza Bondronat Boniva Bonviva Iasibon Ibandronate Ibandronic Acid Ibandronic acid Ibandronic acid accord Ibandronic acid sandoz Ibandronic acid teva NSC-722623 Quodixor
Status
Molecule Category	Free-form
ATC	M05BA06
UNII	UMD7G2653W
EPA CompTox	DTXSID5048340


InChI Key	MPBVHIBUJCELCL-UHFFFAOYSA-N
Smiles	CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
InChI	InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)

Property Name	Value
Molecular Formula	C9H23NO7P2
Molecular Weight	319.23
AlogP	0.5
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	9.0
Polar Surface Area	138.53
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	19.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Transferase	-	20-480	-	3.6-195	-
Enzyme	-	20-480	-	3.6-195	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	25.4	-	3.6-195	-
Leishmania major	-	478.63-480	-	46	-
Plasmodium vivax	-	920	-	-	-
Rattus norvegicus	-	640	-	-	-
Trypanosoma brucei rhodesiense	-	954.99-960	-	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEMBL	CHEMBL997
DrugBank	DB00710
DrugCentral	1404
FDA SRS	UMD7G2653W
Human Metabolome Database	HMDB0014848
Guide to Pharmacology	3059
PDB	BFQ
PharmGKB	PA10270
PubChem	60852
SureChEMBL	SCHEMBL9183
ZINC	ZINC000001533877

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...

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Last update: Monday, 3 November 2025

IBANDRONIC ACID

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Physicochemical Descriptors

Pharmacology

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