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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8659
CHEMBL8659
Compound Name OLEIC ACID
ChEMBL Synonyms Oleic Acid
Max Phase 1
Trade Names
Molecular Formula C18H34O2

Additional synonyms for CHEMBL8659 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC\C=C/CCCCCCCC(=O)O
Standard InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key ZQPPMHVWECSIRJ-KTKRTIGZSA-N

Molecule Features

CHEMBL8659 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 7 structural alerts for CHEMBL8659. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL8659

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 CHEMBL8659. 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
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 1.000
CHEMBL4427 Prostanoid DP receptor Homo sapiens 1.000
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 1.000
CHEMBL2489 Prostanoid EP4 receptor Mus musculus 1.000
CHEMBL3156 Thromboxane A2 receptor Rattus norvegicus 1.000
CHEMBL3455 Anandamide amidohydrolase Mus musculus 1.000
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 1.000
CHEMBL3691 Autotaxin Homo sapiens 1.000
CHEMBL4909 Prostanoid EP2 receptor Rattus norvegicus 1.000
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 1.000
CHEMBL299 Protein kinase C alpha Homo sapiens 1.000
CHEMBL4086 Prostanoid EP4 receptor Rattus norvegicus 1.000
CHEMBL4336 Prostanoid EP3 receptor Mus musculus 1.000
CHEMBL3816 Cytosolic phospholipase A2 Homo sapiens 1.000
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 1.000
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 1.000
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 1.000



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1628461 Oxoeicosanoid receptor 1 Homo sapiens 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 1.000
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 1.000
CHEMBL4427 Prostanoid DP receptor Homo sapiens 1.000
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 1.000
CHEMBL3156 Thromboxane A2 receptor Rattus norvegicus 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 1.000
CHEMBL4909 Prostanoid EP2 receptor Rattus norvegicus 1.000
CHEMBL1995 Prostanoid IP receptor Homo sapiens 1.000
CHEMBL2489 Prostanoid EP4 receptor Mus musculus 1.000
CHEMBL3474 Phospholipase A2 group IIA Homo sapiens 1.000
CHEMBL2181 Prostanoid EP1 receptor Mus musculus 1.000
CHEMBL4336 Prostanoid EP3 receptor Mus musculus 1.000
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 1.000
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 1.000
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 1.000
CHEMBL3816 Cytosolic phospholipase A2 Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
282.5 282.2559 6.86 15 37.29 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 7.42 4.83 0 20 0.26

Compound Cross References

HRAC Z - UNKNOWN
Z4 - OTHER
Z413 - OLEIC ACID
ChemSpider ChemSpider:ZQPPMHVWECSIRJ-KTKRTIGZSA-N
PubChem SID: 144204637 SID: 144209165 SID: 144213641 SID: 17388831 SID: 26732603 SID: 26752911 SID: 75221
Wikipedia Oleic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8659



ACToR 68412-07-7
BindingDB 50150484
ChEBI 16196
eMolecules 476169
EPA CompTox Dashboard DTXSID1025809
FDA SRS 2UMI9U37CP
Guide to Pharmacology 1054
Human Metabolome Database HMDB00207
IBM Patent System 4A09A66A2C608F6E4EDA19468D17C232
KEGG Ligand C00712
MolPort MolPort-001-788-274 MolPort-003-849-687
Nikkaji J2.460K
NMRShiftDB 10008720
PDBe OLA
PubChem 445639
PubChem: Drugs of the Future 87550986
PubChem: Thomson Pharma 14750979
SureChEMBL SCHEMBL1138

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