Molecule Details
| InChIKey | XRASPMIURGNCCH-UHFFFAOYSA-N |
|---|---|
| Compound Name | Zoledronic Acid |
| Canonical SMILES | O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.18 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00399 |
|---|---|
| Drug Name | Zoledronic acid |
| CAS Number | 118072-93-8 |
| Groups | approved investigational |
| ATC Codes | M05BB08 M05BA08 |
| Description | Zoledronic acid, or CGP 42'446,[A203120] is a third generation, nitrogen containing bisphosphonate similar to [ibandronic acid], [minodronic acid], and [risedronic acid].[A203111] Zoledronic acid is used to treat and prevent multiple forms of osteoporosis, hypercalcemia of malignancy, multiple myelo... |
Categories: Bisphosphonates Bone Density Conservation Agents Drugs Affecting Bone Structure and Mineralization Drugs for Treatment of Bone Diseases Imidazoles Musculo-Skeletal System Organophosphonates Organophosphorus Compounds
Cross-references: BindingDB: 12578 ChEBI: 46557 CHEMBL924 ChemSpider: 61986 Drugs Product Database (DPD): 12024 D01968 PDB: ZOL PharmGKB: PA10235 PubChem:68740 PubChem:46507310 RxCUI: 1546014 Therapeutic Targets Database: DAP001539 Wikipedia: Zoledronic_acid ZINC: ZINC000003803652
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 7.0 | IC50 | ChEMBL;BindingDB |
| P14324 | FDPS | Homo sapiens | Human | PF00348 | 7.0 | IC50 | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q5CR09 | Cryptosporidium parvum (strain Iowa II) | Pathogen | PF00348 | 8.9 | IC50 | BindingDB | |
| Q4QBL1 | FPPS | Leishmania major | Pathogen | PF00348 | 8.0 | Ki | ChEMBL;BindingDB |
| B7LHQ0 | ispB | Escherichia coli (strain 55989 / EAEC) | Pathogen | PF00348 | 6.6 | IC50 | BindingDB |
| Q12051 | BTS1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF00348 | 6.2 | IC50 | ChEMBL;BindingDB |