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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3707306
CHEMBL3707306
Compound Name STRONTIUM RANELATE
ChEMBL Synonyms STRONTIUM RANELATE | PROTELOS
Max Phase 4 (Approved)
Trade Names PROTELOS
Molecular Formula C12H6N2O8SSr2

Additional synonyms for CHEMBL3707306 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Sr+2].[Sr+2].[O-]C(=O)CN(CC(=O)[O-])c1sc(C(=O)[O-])c(CC(=O) ...
Download SMILES
Standard InChI InChI=1S/C12H10N2O8S.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23- ...
Download InChI
Standard InChI Key XXUZFRDUEGQHOV-UHFFFAOYSA-J

Sources

  • British National Formulary
  • Scientific Literature
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL3707306

Molecule Features

CHEMBL3707306 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Bone DiseasesD001847EFO:0004260bone disease4ATC

Clinical Data

ClinicalTrials.gov STRONTIUM RANELATE
The Cochrane Collaboration STRONTIUM RANELATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL3707306. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 Homo sapiens 1.000
CHEMBL3190 Glutamate receptor ionotropic, AMPA 4 Homo sapiens 1.000
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.999
CHEMBL3758064 Palmitoleoyl-protein carboxylesterase NOTUM Mus musculus 0.899
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.892
CHEMBL3714531 Palmitoleoyl-protein carboxylesterase NOTUM Homo sapiens 0.787
CHEMBL2073709 Monocarboxylate transporter 1 Rattus norvegicus 0.768
CHEMBL1293267 G-protein coupled receptor 35 Homo sapiens 0.437
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 0.406
CHEMBL1293313 M17 leucyl aminopeptidase Plasmodium falciparum 3D7 0.398
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.345



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3190 Glutamate receptor ionotropic, AMPA 4 Homo sapiens 1.000
CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 Homo sapiens 1.000
CHEMBL4620 Hepatitis C virus polyprotein Hepatitis C virus genotype 1a (isolate 1) (HCV) 0.994
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.980
CHEMBL1293267 G-protein coupled receptor 35 Homo sapiens 0.846
CHEMBL3758064 Palmitoleoyl-protein carboxylesterase NOTUM Mus musculus 0.844
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 0.647
CHEMBL2073709 Monocarboxylate transporter 1 Rattus norvegicus 0.622
CHEMBL3714531 Palmitoleoyl-protein carboxylesterase NOTUM Homo sapiens 0.562
CHEMBL2622 Aldose reductase Rattus norvegicus 0.524
CHEMBL2524 Alpha-galactosidase A Homo sapiens 0.401
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.369
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.216
CHEMBL4860 Apoptosis regulator Bcl-2 Homo sapiens 0.210

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
342.3 342.0158 -0.08 8 176.23 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 10 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.59 - 1.29 -5.45 1 23 0.5

Structural Alerts

There are 6 structural alerts for CHEMBL3707306. To view alerts please click here.

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M05 - DRUGS FOR TREATMENT OF BONE DISEASES
M05B - DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
M05BX - Other drugs affecting bone structure and mineralization
M05BX03 - strontium ranelate

ChemSpider ChemSpider:XXUZFRDUEGQHOV-UHFFFAOYSA-J

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3707306



DrugBank DB09267
eMolecules 36754584
EPA CompTox Dashboard DTXSID40872400
FDA SRS 04NQ160FRU
MolPort MolPort-006-395-967 MolPort-009-199-488
PubChem 6918182 46782942
PubChem: Drugs of the Future 12014584
PubChem: Thomson Pharma 14909379
Selleck strontium-ranelate-protelos
SureChEMBL SCHEMBL162654

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XXUZFRDUEGQHOV-UHFFFAOYSA-J spacer
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