alendronate

Ligand id: 3141

Name: alendronate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 5
Topological polar surface area 180.93
Molecular weight 249.02
XLogP -4.3
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
IUPAC Name
(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
International Nonproprietary Names
INN number INN
6462 alendronic acid
Synonyms
ABDP | BPH 1 | Fosamax® | MK-217
Database Links
CAS Registry No. 66376-36-1 (source: Scifinder)
ChEMBL Ligand CHEMBL870
DrugBank Ligand DB00630
PubChem CID 2088
RCSB PDB Ligand 212
Search Google for chemical match using the InChIKey OGSPWJRAVKPPFI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OGSPWJRAVKPPFI
Search PubMed clinical trials alendronic acid
Search PubMed titles alendronic acid
Search PubMed titles/abstracts alendronic acid
Search UniChem for chemical match using the InChIKey OGSPWJRAVKPPFI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OGSPWJRAVKPPFI
SynPHARM 78402 (in complex with farnesyl diphosphate synthase)
7122 (in complex with farnesyl diphosphate synthase)
Wikipedia Alendronic_acid
Comments
Alendronate is a bisphosphonate drug.