zoledronic acid

Ligand id: 3177

Name: zoledronic acid

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View more information in the IUPHAR Pharmacology Education Project: zoledronic acid

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)
Wikipedia Zoledronate
Comments
Marketed formulations may contain zoledronic acid monohydrate (PubChem CID 121586).