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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1567463
CHEMBL1567463
Compound Name CHOLINE ALFOSCERATE
ChEMBL Synonyms CHOLINE GLYCEROPHOSPHATE | CHOLINE ALFOSCERATE
Max Phase 3
Trade Names
Molecular Formula C8H20NO6P

Additional synonyms for CHEMBL1567463 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
Standard InChI InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h ...
Download InChI
Standard InChI Key SUHOQUVVVLNYQR-MRVPVSSYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1567463

Molecule Features

CHEMBL1567463 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus3ClinicalTrials

Clinical Data

ClinicalTrials.gov CHOLINE ALFOSCERATE
The Cochrane Collaboration CHOLINE ALFOSCERATE

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 CHEMBL1567463. 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
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.980
CHEMBL3056 Androgen Receptor Mus musculus 0.972
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.750
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.704
CHEMBL1741203 Scavenger receptor class B member 1 Mus musculus 0.598
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.238



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.999
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.984
CHEMBL3056 Androgen Receptor Mus musculus 0.956
CHEMBL5982 ADAM9 Homo sapiens 0.949
CHEMBL4518 Purinergic receptor P2Y14 Homo sapiens 0.803
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.785
CHEMBL6135 Neuraminidase Influenza A virus 0.710
CHEMBL1741179 Probable DNA dC->dU-editing enzyme APOBEC-3A Homo sapiens 0.479
CHEMBL4958 Dynamin-1 Homo sapiens 0.424
CHEMBL1741203 Scavenger receptor class B member 1 Mus musculus 0.404
CHEMBL3587 Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens 0.260
CHEMBL332 Matrix metalloproteinase-1 Homo sapiens 0.228

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
257.2 257.1028 -1.45 8 99.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.21 - -5.4 -4.8 0 16 0.41

Structural Alerts

There are 5 structural alerts for CHEMBL1567463. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N07 - OTHER NERVOUS SYSTEM DRUGS
N07A - PARASYMPATHOMIMETICS
N07AX - Other parasympathomimetics
N07AX02 - choline alfoscerate

ChemSpider ChemSpider:SUHOQUVVVLNYQR-MRVPVSSYSA-N
PubChem SID: 855725
Wikipedia Alpha-GPC

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1567463



ACToR 28319-77-9
ChEBI 16870
ChemicalBook CB5309777
DrugBank DB04660
DrugCentral 627
FDA SRS 60M22SGW66
Metabolights MTBLC16870
MolPort MolPort-006-666-494
PubChem 657272
PubChem: Thomson Pharma 14823632
Recon g3pc
Rhea 16870
SureChEMBL SCHEMBL63754

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SUHOQUVVVLNYQR-MRVPVSSYSA-N spacer
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