zoledronic acid

Ligand id: 3177

Name: zoledronic acid

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 172.73
Molecular weight 272
XLogP -4.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2001))
IUPAC Name
[1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid
International Nonproprietary Names
INN number INN
7254 zoledronic acid
Synonyms
Aclasta® | CGP-42446 | CGP-42446A | Reclast® | zoledronate | Zometa®
Database Links
CAS Registry No. 118072-93-8
ChEBI CHEBI:46557
ChEMBL Ligand CHEMBL924
DrugBank Ligand DB00399
PubChem CID 68740
RCSB PDB Ligand ZOL
Search Google for chemical match using the InChIKey XRASPMIURGNCCH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XRASPMIURGNCCH
Search PubMed clinical trials zoledronic acid
Search PubMed titles zoledronic acid
Search PubMed titles/abstracts zoledronic acid
Search UniChem for chemical match using the InChIKey XRASPMIURGNCCH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XRASPMIURGNCCH
SynPHARM 7090 (in complex with farnesyl diphosphate synthase)
7091 (in complex with farnesyl diphosphate synthase)
7126 (in complex with farnesyl diphosphate synthase)
7127 (in complex with farnesyl diphosphate synthase)
Wikipedia Zoledronate
Comments
Marketed formulations may contain zoledronic acid monohydrate (PubChem CID 121586).