pamidronic acid

Ligand id: 7259

Name: pamidronic acid

Abbreviated name: disodium pamidronate

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 4
Topological polar surface area 180.93
Molecular weight 235
XLogP -4.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
IUPAC Name
(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid
International Nonproprietary Names
INN number INN
6305 pamidronic acid
Synonyms
Aredia® | CGP-23339AE
Comments
Pamidronic acid is a bisphosphonate drug.
Database Links
CAS Registry No. 40391-99-9
ChEMBL Ligand CHEMBL834
DrugBank Ligand DB00282
GtoPdb PubChem SID 178103833
PubChem CID 4674
RCSB PDB Ligand 210
Search Google for chemical match using the InChIKey WRUUGTRCQOWXEG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WRUUGTRCQOWXEG
Search PubMed clinical trials pamidronic acid
Search PubMed titles pamidronic acid
Search PubMed titles/abstracts pamidronic acid
Search UniChem for chemical match using the InChIKey WRUUGTRCQOWXEG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WRUUGTRCQOWXEG
SynPHARM 79436 (in complex with farnesyl diphosphate synthase)
Wikipedia Pamidronic acid