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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3186117
CHEMBL3186117
Compound Name SORBITAN MONOSTEARATE
ChEMBL Synonyms Span 60 | SORBITAN MONOSTEARATE | SORBITAN STEARATE
Max Phase 0
Trade Names
Molecular Formula C24H46O6

Additional synonyms for CHEMBL3186117 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O
Standard InChI InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key HVUMOYIDDBPOLL-XWVZOOPGSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL3186117

Molecule Features

CHEMBL3186117 compound icon
Drug Type:Natural Product-derived 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

Clinical Data

ClinicalTrials.gov SORBITAN MONOSTEARATE
The Cochrane Collaboration SORBITAN 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 CHEMBL3186117. 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
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.999
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 0.995
CHEMBL2966 Adenosine deaminase Bos taurus 0.993
CHEMBL3691 Autotaxin Homo sapiens 0.969
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 0.962
CHEMBL3318 Tyrosinase Agaricus bisporus 0.954
CHEMBL4140 Epoxide hydratase Mus musculus 0.923
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.763
CHEMBL2366517 Protease Human immunodeficiency virus 1 0.669
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.664
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.557
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.406
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.399
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.381
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 0.351
CHEMBL2063 Ceramide glucosyltransferase Homo sapiens 0.274



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 1.000
CHEMBL3321 Monoglyceride lipase Rattus norvegicus 1.000
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 1.000
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.992
CHEMBL3318 Tyrosinase Agaricus bisporus 0.992
CHEMBL2966 Adenosine deaminase Bos taurus 0.991
CHEMBL2366517 Protease Human immunodeficiency virus 1 0.991
CHEMBL3691 Autotaxin Homo sapiens 0.968
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 0.966
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 0.862
CHEMBL4140 Epoxide hydratase Mus musculus 0.831
CHEMBL3482 Beta-galactosidase Bos taurus 0.760
CHEMBL6135 Neuraminidase Influenza A virus 0.667
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.621
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.557
CHEMBL2063 Ceramide glucosyltransferase Homo sapiens 0.416
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.359
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.339

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
430.6 430.3294 4.27 19 96.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.17 - 6.42 6.42 0 30 0.21

Structural Alerts

There are 11 structural alerts for CHEMBL3186117. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HVUMOYIDDBPOLL-XWVZOOPGSA-N
PubChem SID: 144205653

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3186117



eMolecules 29700133 30316239
EPA CompTox Dashboard DTXSID70872695
FDA SRS NVZ4I0H58X
IBM Patent System F51B6B7E28ADF05E309F7AC33D208051
PubChem 16218600
SureChEMBL SCHEMBL5447
ZINC ZINC000008214460

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