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PAMIDRONATE
Created: | 2006-01-11 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | PAMIDRONATE |
Synonyms | (3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID |
Systematic Name (OpenEye OEToolkits) | (3-amino-1-hydroxy-1-phosphono-propyl)phosphonic acid |
Formula | C3 H11 N O7 P2 |
Molecular Weight | 235.069 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)(CCN)P(=O)(O)O |
SMILES | CACTVS | 3.341 | NCCC(O)([P](O)(O)=O)[P](O)(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CN)C(O)(P(=O)(O)O)P(=O)(O)O |
Canonical SMILES | CACTVS | 3.341 | NCCC(O)([P](O)(O)=O)[P](O)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(CN)C(O)(P(=O)(O)O)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11) |
InChIKey | InChI | 1.03 | WRUUGTRCQOWXEG-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB00282 |
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Name | Pamidronic acid |
Groups | approved |
Description | Pamidronic acid is a second generation, nitrogen containing bisphosphonate similar to [neridronic acid] and [alendronic acid].[A203111] Pamidronic acid was first described in the literature in 1977.[A203267] The second generation bisphosphonates are less common as third generation bisphosphonates, such as [ibandronic acid], [zoledronic acid], [minodronic acid], and [risedronic acid] are becoming more popular.[A203111] Pamidronic acid was granted FDA approval on 31 October 1991.[L13835] |
Synonyms |
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Brand Names |
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Indication | Pamidronate is indicated to treat moderate to severe hypercalcemia of malignancy, moderate to severe Paget's disease of bone, osteolytic bone metastases of breast cancer, and osteolytic lesions of multiple myeloma.[L13838] |
Categories |
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ATC-Code | M05BA03 |
CAS number | 40391-99-9 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Farnesyl pyrophosphate synthase | MPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCW... | unknown | inhibitor |
Hydroxylapatite | - | unknown | antagonist |
Geranylgeranyl pyrophosphate synthase | MEKTQETVQRILLEPYKYLLQLPGKQVRTKLSQAFNHWLKVPEDKLQIII... | unknown | inhibitor |
Caspase-3 | MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIII... | unknown | activator |
Caspase-9 | MDEADRRLLRRCRLRLVEELQVDQLWDALLSRELFRPHMIEDIQRAGSGS... | unknown | activator |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL834 |
PubChem | 44400012, 4674 |
ChEMBL | CHEMBL834 |
ChEBI | CHEBI:7903 |