ibandronic acid

Ligand id: 3059

Name: ibandronic acid

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 158.15
Molecular weight 319.09
XLogP -2.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (1996))
Withdrawn drug? Yes
IUPAC Name
{1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid
International Nonproprietary Names
INN number INN
7189 ibandronic acid
Synonyms
Bondronat® | Boniva® | ibandronate
Database Links
CAS Registry No. 114084-78-5
ChEMBL Ligand CHEMBL997
DrugBank Ligand DB00710
GtoPdb PubChem SID 135649664
PubChem CID 60852
RCSB PDB Ligand BFQ
Search Google for chemical match using the InChIKey MPBVHIBUJCELCL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MPBVHIBUJCELCL
Search PubMed clinical trials ibandronic acid
Search PubMed titles ibandronic acid
Search PubMed titles/abstracts ibandronic acid
Search UniChem for chemical match using the InChIKey MPBVHIBUJCELCL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MPBVHIBUJCELCL
SynPHARM 79510 (in complex with farnesyl diphosphate synthase)
Wikipedia Ibandronic_acid
Comments
Ibandronic acid is a potent bisphosphonate drug.