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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3707206
CHEMBL3707206
Compound Name CALCIUM GLYCERYLPHOSPHATE
ChEMBL Synonyms CALCIUM GLYCERYLPHOSPHATE
Max Phase 0
Trade Names
Molecular Formula C3H7CaO6P

Additional synonyms for CHEMBL3707206 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].OCC(CO)OP(=O)([O-])[O-]
Standard InChI InChI=1S/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6 ...
Download InChI
Standard InChI Key UHHRFSOMMCWGSO-UHFFFAOYSA-L

Sources

  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL3707206

Molecule Features

CHEMBL3707206 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unknown

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL3707206. 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
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 0.938
CHEMBL1287610 Neuraminidase Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1)) 0.924
CHEMBL2360 Hypoxanthine-guanine phosphoribosyltransferase Homo sapiens 0.922
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.914
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.906
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.860
CHEMBL4026 Signal transducer and activator of transcription 3 Homo sapiens 0.823
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.789
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.785
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.770
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.728
CHEMBL3975 Fructose-1,6-bisphosphatase Homo sapiens 0.666
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.581
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.571
CHEMBL5831 Farnesyl diphosphate synthase Toxoplasma gondii 0.567
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.523
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 0.512
CHEMBL1907 Aminopeptidase N Homo sapiens 0.446
CHEMBL2288 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens 0.377



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL2360 Hypoxanthine-guanine phosphoribosyltransferase Homo sapiens 0.998
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 0.993
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.972
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.967
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.966
CHEMBL1287610 Neuraminidase Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1)) 0.963
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 0.950
CHEMBL4518 Purinergic receptor P2Y14 Homo sapiens 0.942
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.922
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 0.879
CHEMBL6135 Neuraminidase Influenza A virus 0.879
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.853
CHEMBL5630 1-deoxy-D-xylulose 5-phosphate reductoisomerase Mycobacterium tuberculosis 0.757
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.756
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.739
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 0.584
CHEMBL3693 Farnesyl pyrophosphate synthase Leishmania donovani 0.523
CHEMBL5831 Farnesyl diphosphate synthase Toxoplasma gondii 0.510
CHEMBL5440 Dehydrosqualene synthase Staphylococcus aureus 0.492

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
172.1 172.0137 -1.55 4 107.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.76 - -3.7 -8.01 0 10 0.38

Structural Alerts

There are 5 structural alerts for CHEMBL3707206. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A12 - MINERAL SUPPLEMENTS
A12A - CALCIUM
A12AA - Calcium
A12AA08 - calcium glycerylphosphate

ChemSpider ChemSpider:UHHRFSOMMCWGSO-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3707206



ACToR 58409-70-4
ChEBI 31336
DrugBank DB11264
EPA CompTox Dashboard DTXSID1048962
FDA SRS Y56W30YB7O
KEGG Ligand C12935
Nikkaji J21.622D
PubChem 62820
PubChem: Thomson Pharma 14773289
SureChEMBL SCHEMBL290656

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