ALENDRONATE SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 2UY4M2U3RA
Parent Compound:

Structure
InChI Key CAKRAHQRJGUPIG-UHFFFAOYSA-M
Smile NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]
InChI
InChI=1S/C4H13NO7P2.Na/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);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H12NNaO7P2
Molecular Weight 271.08
AlogP -1.27
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 161.31
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Farnesyl diphosphate synthase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 18
Enzyme Isomerase
- 1700 - - -
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M9B subfamily
- - - - 28
Enzyme Transferase
- 15000-15000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Vitamin D Deficiency 3 D014808 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials

Related Entries

UNKNOWN
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Musculoskeletal and connective tissue disorders
21.93
Injury, poisoning and procedural complications
12.13
Surgical and medical procedures
7.41
Metabolism and nutrition disorders
6.91
Gastrointestinal disorders
6.01
Vascular disorders
5.21
Nervous system disorders
4.91
General disorders and administration site conditions
4.49
Respiratory, thoracic and mediastinal disorders
3.94
Renal and urinary disorders
3.03
Cardiac disorders
2.95
Infections and infestations
2.93
Psychiatric disorders
2.9
Investigations
2.72
Skin and subcutaneous tissue disorders
2.57

Cross References

Resources Reference
ChEMBL CHEMBL675
FDA SRS 2UY4M2U3RA
PubChem 58788844
SureChEMBL SCHEMBL328770
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