clodronic acid

Ligand id: 9605

Name: clodronic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 134.68
Molecular weight 243.89
XLogP -2.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (UK (1999))
IUPAC Name
(dichloro-phosphonomethyl)phosphonic acid
International Nonproprietary Names
INN number INN
4147 clodronic acid
Synonyms
Bonefos® | Clasteon ® | clodronate | Loron®
Database Links
BindingDB Ligand 50216172
CAS Registry No. 10596-23-3 (source: WHO INN record)
ChEMBL Ligand CHEMBL12318
DrugBank Ligand DB00720
PubChem CID 25419
Search Google for chemical match using the InChIKey ACSIXWWBWUQEHA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ACSIXWWBWUQEHA
Search PubMed clinical trials clodronic acid
Search PubMed titles clodronic acid
Search PubMed titles/abstracts clodronic acid
Search UniChem for chemical match using the InChIKey ACSIXWWBWUQEHA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ACSIXWWBWUQEHA
Comments
Clodronic acid is a first generation (non-nitrogenous) bisphosphonate drug. Clinically used drugs can contain sodium clodronate tetrahydrate, sodium clodronate, disodium clodronate tetrahydrate or disodium clodronate.

Kato et al. (2017) report that clodronic acid-mediated inhibition of the vesicular nucleotide transporter (VNUT, SLC17A9) suggests that this drug has potential as a transporter-targeted (and notably, non-opioid) analgesic drug for the treatment of chronic neuropathic and inflammatory pain [1]. In this study clodronic acid was selective for VNUT compared to other vesicular transporters tested.