Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL675

ALENDRONATE SODIUM
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL675
Name ALENDRONATE SODIUM
Phase Approved
Structure Type MOL
InChI Key CAKRAHQRJGUPIG-UHFFFAOYSA-M
Therapeutic ✓ Yes
Parent Compound CHEMBL870
Active Moiety CHEMBL870

Known Names

Adrovance Alendronate (as sodium) Alendronate sodium Alendronate sodium component of fosamax plus d Alendronate sodium hydrate Alendronate sodium trihydrate Alendronic acid monosodium salt trihydrate Binosto Fosamax Fosavance G-704,650 G-704650 +6 more
8
Targets
12
Activities
2
Assay Types
2
PK Parameters
20
Publications
18
Known Names
7
Indications
1
Mechanisms

Molecular Properties

249.1
MW (Da)
-1.27
ALogP
4
HBA
6
HBD
161.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1995
Availability Prescription
Chirality Achiral

Routes of Administration

Oral
USAN Stem -dronate
USAN Year 1990

Extended Properties

Molecular Formula C4H12NNaO7P2
MW 271.08
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.71

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Farnesyl diphosphate synthase inhibitor INHIBITOR Farnesyl pyrophosphate synthase ✓ ✓

Indications

Bone Diseases, Metabolic Osteitis Deformans Osteoporosis Osteoporosis, Postmenopausal Osteoporotic Fractures Breast Neoplasms Vitamin D Deficiency

Activity Summary

IC50 9 meas. best 7.08
EC50 3 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 7.08 7.08 84.0 1
BMDM
CHEMBL4296525
 IC50 6.41 6.41 390.0 1
Farnesyl pyrophosphate synthase
CHEMBL1782
 IC50 6.34 6.34 460.0 1
Unchecked
CHEMBL612545
 EC50 6.12 6.0567 750.0 3
Farnesyl pyrophosphate synthase
CHEMBL1075093
 IC50 5.77 5.77 1700.0 1
BMMC
CHEMBL4296524
 IC50 5.77 5.77 1710.0 1
Isopentenyl-diphosphate Delta-isomerase 1
CHEMBL4523132
 IC50 5.77 5.77 1700.0 1
Unchecked
CHEMBL612545
 IC50 5.43 5.43 3700.0 1
Farnesyl pyrophosphate synthase
CHEMBL4523414
 IC50 4.82 4.82 15000.0 2

Pharmacokinetic Data

Parameter Value Units Species
Cmax 227.0 nM Homo sapiens
Cmax 199.0 nM Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 84.0 nM 7.08 Antiosteoclast activity in mouse RAW264.7 cells assessed as inhibition of RANKL-... -
BMDM IC50 = 390.0 nM 6.41 Anti-osteoclastogenic activity in M-CSF/RANKL-induced C57BL/6 mouse BMDM cells a... 39167391
Farnesyl pyrophosphate synthase IC50 = 460.0 nM 6.34 Inhibition of recombinant human farnesyl diphosphate synthase in expressed in Es... 31257875
Unchecked EC50 = 750.0 nM 6.12 Mean effective concentration of compound was determined in stimulating Vgamma9 /... 12657258
Unchecked EC50 = 900.0 nM 6.05 Effective concentration range of compound was determined in stimulating Vgamma9 ... 12657258
Unchecked EC50 = 1000.0 nM 6.0 Effective concentration range of compound was determined in stimulating Vgamma9 ... 12657258
Isopentenyl-diphosphate Delta-isomerase 1 IC50 = 1700.0 nM 5.77 Inhibition of isopentenyl diphosphate isomerase in Sprague-Dawley rat liver S100... 31257875
Farnesyl pyrophosphate synthase IC50 = 1700.0 nM 5.77 Inhibition of farnesyl diphosphate synthase in Sprague-Dawley rat liver S100 fra... 31257875
BMMC IC50 = 1710.0 nM 5.77 Anti-osteoporosis activity in C57BL/6 mouse BMM cells assessed as inhibition of ... 33485256
Unchecked IC50 = 3700.0 nM 5.43 Inhibition of M-CSF/RANKL-induced osteoclast differentiation in C57BL/6 mouse bo... 31257875
Farnesyl pyrophosphate synthase IC50 = 15000.0 nM 4.82 Inhibition of farnesyl diphosphate synthase in Balb/C mouse osteoclast assessed ... 31257875
Farnesyl pyrophosphate synthase IC50 = 15000.0 nM 4.82 Inhibition of farnesyl diphosphate synthase in Balb/C mouse osteoclast assessed ... 31257875

Literature References

PubMed DOI Target Context # Activities
36662031 10.1021/acs.jmedchem.2c01377 ADMET 9
31257875 10.1021/acs.jmedchem.9b00270 Mus musculus 7
26301557 10.1016/j.ejmech.2015.08.019 NON-PROTEIN TARGET 5
19369079 10.1016/j.bmc.2009.03.039 ADMET 4
12657258 10.1016/s0960-894x(03)00138-0 Unchecked 4
36154055 10.1021/acs.jmedchem.2c00785 Unchecked 4
31257875 10.1021/acs.jmedchem.9b00270 Farnesyl pyrophosphate synthase 4
33635072 10.1021/acs.jnatprod.1c00002 Danio rerio 4
33635072 10.1021/acs.jnatprod.1c00002 Unchecked 4
19171409 10.1016/j.ejmech.2008.12.024 NON-PROTEIN TARGET 3
31257875 10.1021/acs.jmedchem.9b00270 ADMET 3
36662031 10.1021/acs.jmedchem.2c01377 Mus musculus 3
36154055 10.1021/acs.jmedchem.2c00785 Collagenase ColQ1 2
39167391 10.1021/acs.jmedchem.4c00909 BMDM 2
- 10.1039/C5MD00482A RAW264.7 2
19369079 10.1016/j.bmc.2009.03.039 Unchecked 2
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 4 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 3 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 2 1
39167391 10.1021/acs.jmedchem.4c00909 C3H 10T1/2 1

Data from ChEMBL 36 via Core Engine