Molecule Details
| InChIKey | OGSPWJRAVKPPFI-UHFFFAOYSA-N |
|---|---|
| Compound Name | Alendronic Acid |
| Canonical SMILES | NCCCC(O)(P(=O)(O)O)P(=O)(O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00630 |
|---|---|
| Drug Name | Alendronic acid |
| CAS Number | 66376-36-1 |
| Groups | approved investigational |
| ATC Codes | M05BB03 M05BA04 M05BB06 M05BB05 |
| Description | Alendronic acid is a second generation bisphosphonate that is used for the treatment of some forms of osteoperosis and Paget's disease[FDA Label][A959,A203111]. It functions by preventing resorption of bone[FDA Label][A959]. |
Categories: Agents Causing Muscle Toxicity Bisphosphonates Bone Density Conservation Agents Drugs Affecting Bone Structure and Mineralization Drugs for Treatment of Bone Diseases Musculo-Skeletal System Organophosphonates Organophosphorus Compounds
Cross-references: BindingDB: 25313 ChEBI: 2567 CHEMBL870 ChemSpider: 2004 Drugs Product Database (DPD): 13353 C07752 PDB: 212 PharmGKB: PA448082 PubChem:2088 PubChem:46507199 RxCUI: 236083 Therapeutic Targets Database: DAP000182 Wikipedia: Alendronic_acid ZINC: ZINC000003801919
Target Activities (3)
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P14324 | FDPS | Farnesyl pyrophosphate synthase | inhibitor | targets |
| P23469 | P23469 | Receptor-type tyrosine-protein phosphatase epsilon | inhibitor | targets |
| P29074 | PTPN4 | Tyrosine-protein phosphatase non-receptor type 4 | inhibitor | targets |
| P38606 | P38606 | V-type proton ATPase catalytic subunit A | inhibitor | targets |
| Q13332 | Q13332 | Receptor-type tyrosine-protein phosphatase S | inhibitor | targets |