ALENDRONATE SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 4988K7X26P
Parent Compound:

Structure

InChI Key CAKRAHQRJGUPIG-UHFFFAOYSA-M
Smiles 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

Mechanism of Action Action Reference
Farnesyl diphosphate synthase inhibitor INHIBITOR ISBN PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 460 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
750-900 460 - - -
Mus musculus
- 84 - - 93.2

Target Conservation

Protein: Farnesyl diphosphate synthase
Description: Farnesyl pyrophosphate synthase
Organism : Homo sapiens
P14324 ENSG00000160752

Cross References

Resources Reference
ChEMBL CHEMBL675
FDA SRS 4988K7X26P
PubChem 60736
SureChEMBL SCHEMBL328770
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