risedronate   Click here for help

GtoPdb Ligand ID: 3176

Synonyms: Actonel® | Atelvia® | NE-58095 | risedronate sodium
Approved drug PDB Ligand
risedronate is an approved drug (FDA (1998))
Compound class: Synthetic organic
Comment: Risedronate is a bisphosphonate drug.
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: risedronate

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 167.8
Molecular weight 283
XLogP -3.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O
Isomeric SMILES OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O
InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
InChI Key IIDJRNMFWXDHID-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1998))
IUPAC Name Click here for help
[1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid
International Nonproprietary Names Click here for help
INN number INN
6522 risedronic acid
Synonyms Click here for help
Actonel® | Atelvia® | NE-58095 | risedronate sodium
Database Links Click here for help
CAS Registry No. 105462-24-6 (source: Scifinder)
ChEMBL Ligand CHEMBL923
DrugBank Ligand DB00884
DrugCentral Ligand 2387
GtoPdb PubChem SID 135650902
PubChem CID 5245
RCSB PDB Ligand RIS
Search Google for chemical match using the InChIKey IIDJRNMFWXDHID-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IIDJRNMFWXDHID
Search PubMed clinical trials risedronic acid
Search PubMed titles risedronic acid
Search PubMed titles/abstracts risedronic acid
Search UniChem for chemical match using the InChIKey IIDJRNMFWXDHID-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IIDJRNMFWXDHID
SynPHARM 7092 (in complex with farnesyl diphosphate synthase)
78401 (in complex with farnesyl diphosphate synthase)
7093 (in complex with farnesyl diphosphate synthase)
7130 (in complex with farnesyl diphosphate synthase)
7131 (in complex with farnesyl diphosphate synthase)
7136 (in complex with farnesyl diphosphate synthase)
Wikipedia Risedronic acid