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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL255696
CHEMBL255696
Compound Name GLYCERYL MONOSTEARATE
ChEMBL Synonyms EASTMAN 600 | GLYCERYL MONOSTEARATE
Max Phase 0
Trade Names
Molecular Formula C21H42O4

Additional synonyms for CHEMBL255696 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
Standard InChI InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key VBICKXHEKHSIBG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL255696

Molecule Features

CHEMBL255696 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov GLYCERYL MONOSTEARATE
The Cochrane Collaboration GLYCERYL MONOSTEARATE

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 CHEMBL255696. 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
CHEMBL299 Protein kinase C alpha Homo sapiens 1.000
CHEMBL3691 Autotaxin Homo sapiens 1.000
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 1.000
CHEMBL4140 Epoxide hydratase Mus musculus 1.000
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.994
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.993
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.991
CHEMBL2966 Adenosine deaminase Bos taurus 0.990
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.987
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.986
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 0.964
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 0.959
CHEMBL1987 Prostanoid FP receptor Homo sapiens 0.923
CHEMBL3582 Protein kinase C epsilon Homo sapiens 0.740
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.695
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 0.589
CHEMBL4804 Dual specificity phosphatase Cdc25B Homo sapiens 0.222



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL299 Protein kinase C alpha Homo sapiens 1.000
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 1.000
CHEMBL3691 Autotaxin Homo sapiens 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 1.000
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 1.000
CHEMBL4140 Epoxide hydratase Mus musculus 1.000
CHEMBL3321 Monoglyceride lipase Rattus norvegicus 0.999
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.996
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.995
CHEMBL2966 Adenosine deaminase Bos taurus 0.995
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.993
CHEMBL402 HMG-CoA reductase Homo sapiens 0.991
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.982
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 0.950
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.937
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.900
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.768
CHEMBL1628461 Oxoeicosanoid receptor 1 Homo sapiens 0.742
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.712

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
358.6 358.3083 6.48 20 66.75 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.16 - 7.09 7.09 0 25 0.19

Structural Alerts

There are 11 structural alerts for CHEMBL255696. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VBICKXHEKHSIBG-UHFFFAOYSA-N
PubChem SID: 144205713 SID: 144209771 SID: 144211421 SID: 170465522 SID: 26757948
Wikipedia Glycerol_monostearate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL255696



ACToR 31566-31-1 14811-92-8 123-94-4 83138-62-9 22610-63-5 100041-47-2
ChEBI 75555 75557
eMolecules 531564
EPA CompTox Dashboard DTXSID7029160
Human Metabolome Database HMDB31075
IBM Patent System BF117098B4B1584B5BE23920A21CC854
LipidMaps LMGL01010003
Mcule MCULE-2198239945
Metabolights MTBLC75555
Nikkaji J10.136B
NMRShiftDB 20096847
PubChem 24699
PubChem: Thomson Pharma 14901292
SureChEMBL SCHEMBL4488

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