Repositioning Candidate Details
| Candidate ID: | R0249 |
| Source ID: | DB00710 |
| Source Type: | approved; investigational |
| Compound Type: | small molecule |
| Compound Name: | Ibandronate |
| Synonyms: | Ibandronic acid |
| Molecular Formula: | C9H23NO7P2 |
| SMILES: | CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O |
| Structure: |
|
| DrugBank Description: | Ibandronate, or BM 21.0955, is a third generation, nitrogen containing bisphosphonate similar to , , and . It is used to prevent and treat postmenopausal osteoporosis. Ibandronate was first described in the literature in 1993 as a treatment for bone loss in dogs. Ibandronate was granted FDA approval on 16 May 2003. |
| CAS Number: | 114084-78-5 |
| Molecular Weight: | 319.2289 |
| DrugBank Indication: | For the treatment and prevention of osteoporosis in postmenopausal women. |
| DrugBank Pharmacology: | Ibandronate is a nitrogen containing bisphosphonate used to treat and prevent osteoporosis in postmenopausal women. The therapeutic index is wide as overdoses are not especially toxic, and the duration of action is long as the half life can be up to 157 hours. Patients should be counselled regarding the risk of upper GI adverse reactions, hypocalcemia, musculoskeletal pain, osteonecrosis of the jaw, atypical fractures of the femur, and severe renal impairment. |
| DrugBank MoA: | Bisphosphonates are taken into the bone where they bind to hydroxyapatite. Bone resorption by osteoclasts causes local acidification, releasing the bisphosphonate, which is taken into the osteoclast by fluid-phase endocytosis. Endocytic vesicles become acidified, releasing bisphosphonates into the cytosol of osteoclasts where they act. Osteoclasts mediate resorption of bone. When osteoclasts bind to bone they form podosomes, ring structures of F-actin. Disruption of the podosomes causes osteoclasts to detach from bones, preventing bone resorption. Nitrogen containing bisphosphonates such as ibandronate are known to induce apoptosis of hematopoietic tumor cells by inhibiting the components of the mevalonate pathway farnesyl diphosphate synthase, farnesyl diphosphate, and geranylgeranyl diphosphate. These components are essential for post-translational prenylation of GTP-binding proteins like Rap1. The lack of prenylation of these proteins interferes with their function, and in the case of Rap1, leads to apoptosis. ibandronate also activated caspase-3 which contribute to apoptosis. |
| Targets: | Farnesyl pyrophosphate synthase inhibitor; Hydroxylapatite antagonist; Geranylgeranyl pyrophosphate synthase inhibitor |
| Inclusion Criteria: | Therapeutic strategy associated |
| Diseases ID | DO ID | Disease Name | Definition | Class | |
|---|---|---|---|---|---|
| I15 | 1290 | Bone disease | A connective tissue disease that affects the structure or development of bone or causes an impairment of normal bone function. http://en.wikipedia.org/wiki/Bone_disease | disease of anatomical entity/ musculoskeletal system disease/connective tissue disease | Details |