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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL111077
CHEMBL111077
Compound Name MYRISTIC ACID
ChEMBL Synonyms MYRISTIC ACID
Max Phase 0
Trade Names
Molecular Formula C14H28O2

Additional synonyms for CHEMBL111077 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2 ...
Download InChI
Standard InChI Key TUNFSRHWOTWDNC-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL111077

Molecule Features

CHEMBL111077 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:Unclassified

Clinical Data

ClinicalTrials.gov MYRISTIC ACID
The Cochrane Collaboration MYRISTIC ACID

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 CHEMBL111077. 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
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 1.000
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 1.000
CHEMBL2489 Prostanoid EP4 receptor Mus musculus 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL2001 Purinergic receptor P2Y12 Homo sapiens 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 1.000
CHEMBL3816 Cytosolic phospholipase A2 Homo sapiens 1.000
CHEMBL3474 Phospholipase A2 group IIA Homo sapiens 0.999
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.999
CHEMBL4336 Prostanoid EP3 receptor Mus musculus 0.999
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 0.999
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.999
CHEMBL1968 Epoxide hydrolase 1 Homo sapiens 0.998
CHEMBL4086 Prostanoid EP4 receptor Rattus norvegicus 0.997
CHEMBL4909 Prostanoid EP2 receptor Rattus norvegicus 0.995
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.994
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.983



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 1.000
CHEMBL1628461 Oxoeicosanoid receptor 1 Homo sapiens 1.000
CHEMBL2304401 Cytosolic phospholipase A2 Bos taurus 1.000
CHEMBL3474 Phospholipase A2 group IIA Homo sapiens 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 1.000
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 1.000
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL2489 Prostanoid EP4 receptor Mus musculus 1.000
CHEMBL3816 Cytosolic phospholipase A2 Homo sapiens 1.000
CHEMBL4336 Prostanoid EP3 receptor Mus musculus 1.000
CHEMBL1860 Thyroid hormone receptor alpha Homo sapiens 1.000
CHEMBL2001 Purinergic receptor P2Y12 Homo sapiens 0.999
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.999
CHEMBL1968 Epoxide hydrolase 1 Homo sapiens 0.999
CHEMBL4086 Prostanoid EP4 receptor Rattus norvegicus 0.998
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.998

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
228.4 228.2089 4.77 12 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 5.79 3.2 0 16 0.49

Structural Alerts

There are 9 structural alerts for CHEMBL111077. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TUNFSRHWOTWDNC-UHFFFAOYSA-N
PubChem SID: 144209050 SID: 144213098 SID: 17389652 SID: 26752895 SID: 56436661
Wikipedia Myristic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL111077



ACToR 544-63-8 67701-02-4 45184-05-2
BindingDB 50147581
Brenda 137288 4568 2414 4284 876
ChEBI 28875
ChemicalBook CB1104862
DrugBank DB08231
eMolecules 480439
EPA CompTox Dashboard DTXSID6021666
FDA SRS 0I3V7S25AW
Guide to Pharmacology 2806
Human Metabolome Database HMDB0000806
IBM Patent System F2FF20135E5385BDAE54980591BE151A
KEGG Ligand C06424
LipidMaps LMFA01010014
Mcule MCULE-9671122893
Metabolights MTBLC28875
MolPort MolPort-001-779-744
Nikkaji J4.411C
PDBe MYR
PubChem 11005
PubChem: Thomson Pharma 14892448
SureChEMBL SCHEMBL6374
ZINC ZINC000001530417

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