minodronic acid   Click here for help

GtoPdb Ligand ID: 3164

Synonyms: BPH 261 | ONO 5920 | YH 529
PDB Ligand
Compound class: Synthetic organic
Click here for help
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 172.21
Molecular weight 322.01
XLogP -2.69
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OP(=O)(C(P(=O)(O)O)(Cc1cnc2n1cccc2)O)O
Isomeric SMILES OP(=O)(C(P(=O)(O)O)(Cc1cnc2n1cccc2)O)O
InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosphonoethyl)phosphonic acid
International Nonproprietary Names Click here for help
INN number INN
7651 minodronic acid
Synonyms Click here for help
BPH 261 | ONO 5920 | YH 529
Database Links Click here for help
CAS Registry No. 180064-38-4 (source: Scifinder)
ChEMBL Ligand CHEMBL319144
DrugCentral Ligand 4074
GtoPdb PubChem SID 135649663
PubChem CID 130956
Search Google for chemical match using the InChIKey VMMKGHQPQIEGSQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VMMKGHQPQIEGSQ
Search PubMed clinical trials minodronic acid
Search PubMed titles minodronic acid
Search PubMed titles/abstracts minodronic acid
SynPHARM 7125 (in complex with farnesyl diphosphate synthase)
UniChem Compound Search for chemical match using the InChIKey VMMKGHQPQIEGSQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VMMKGHQPQIEGSQ-UHFFFAOYSA-N
Wikipedia Minodronic_acid