Chemical Component Summary

NameALENDRONATE
Synonyms(4-AMINO-1-HYDROXY-1-PHOSPHONO-BUTYL)PHOSPHONIC ACID
Identifiers(4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid
FormulaC4 H13 N O7 P2
Molecular Weight249.096
TypeNON-POLYMER
Isomeric SMILESC(CC(O)(P(=O)(O)O)P(=O)(O)O)CN
InChIInChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)
InChIKeyOGSPWJRAVKPPFI-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count26
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB00630 
NameAlendronic acid
Groups approved
DescriptionAlendronic 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].
Synonyms
  • Alendronate disodium
  • Alendronate
  • Alendronate sodium
  • Acide Alendronique
  • 4-amino-1-hydroxybutane-1,1-diphosphonic acid
Brand Names
  • Apo-alendronate
  • PMS-alendronate
  • Jamp-alendronate
  • Apo-alendronate/vitamin D3
  • Accel-alendronate
IndicationAlendronic acid is indicated for the treatment and prevention of osteoporosis in men and postmenopausal women, treatment of glucocorticoid-induced osteoporosis, and Paget's disease of bone[FDA Label][A959,A176750]. However, alendronic acid is not indicated for use in pediatric populations or patients with a creatinine clearance <35mL/min[FDA Label].
Categories
  • Agents Causing Muscle Toxicity
  • Bisphosphonates
  • Bone Density Conservation Agents
  • Drugs Affecting Bone Structure and Mineralization
  • Drugs for Treatment of Bone Diseases
ATC-Code
  • M05BB03
  • M05BA04
  • M05BB06
  • M05BB05
CAS number66376-36-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Farnesyl pyrophosphate synthaseMPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCW...unknowninhibitor
Hydroxylapatite-unknownantagonist
Tyrosine-protein phosphatase non-receptor type 4MTSRFRLPAGRTYNVRASELARDRQHTEVVCNILLLDNTVQAFKVNKHDQ...unknowninhibitor
Receptor-type tyrosine-protein phosphatase SMAPTWGPGMVSVVGPMGLLVVLLVGGCAAEEPPRFIKEPKDQIGVSGGVA...unknowninhibitor
Receptor-type tyrosine-protein phosphatase epsilonMEPLCPLLLVGFSLPLARALRGNETTADSNETTTTSGPPDPGASQPLLAW...unknowninhibitor
View More
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 NameReference
Pharos CHEMBL870
PubChem 2088, 44400013
ChEMBL CHEMBL870
ChEBI CHEBI:2567