ZINC6845860 (Oleate)

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Added Available Since Mwt logP Heavy Atoms Tranche Download
2006-04-27 In-Stock 2015-08-07 282.468 6.109 20 CKEA
ZINC6845860
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Available 3D Representations

pH range Net
charge		 H-bond
donors		 H-bond
acceptors		 tPSA Ų Rotatable
bonds		 Apolar
desolvationkcal/mol		 Polar
desolvationkcal/mol		 Download
Reference -1 0 2 40 15 14.25 -43.46
267 Items Total

Vendors (45 Total)

Aldrich CPR
Molport
Selleck Chemicals
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Building Blocks Alfa-Aesar
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  • CUR-0015995
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  • 7620-75-9
  • SCA01080
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  • SC-19057
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Building Blocks Molepedia
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1717 CheMall Corporation
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69 Items Total

Annotated Catalogs (43 Total)

In Man MicroSource Pharmakon
  • 01506170
Bioactive MicroSource Spectrum
  • 01506170
In Man MicroSource US Drugs
  • 01506170
MLSMR
Bioactive SMDC Pharmakon
Biocore Pharmatech
  • BIE140700
Santiago.cz
  • 1330-80-9
Natural Products Aster Sunflower family NP
  • ZQPPMHVWECSIRJ-KTKRTIGZSA-N
BindingDB.org
Bioactive Biocyc via PubChem
  • OLEATE-CPD
Bioactive Bovine Metabolome
Bioactive ChEBI
ChEMBL20
ChEMBL 21
ChEMBL23
In Man ChEMBL DrugStore
In Man CSF Metabolome SMPDB
Bioactive DrugBank All
World Drugs DrugBank-approved
FDA Approved Drugs DrugBank FDA only
FDA-approved drugs (via DSSTOX)
In Man Food Database
Natural Products Bioactive Herbal Ingredients Targets
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Endogenous Human Metabolites Metabolites Bioactive HMDB Endogenous
In Man HMDB Food
In Man Human Metabolome Database
Bioactive IUPHAR Database
Bioactive KEGG-C via PubChem
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Bioactive KEGG via PubChem
Lipidomics
NutriChem
  • Arachis-(3817)
Bioactive Protein Databank
  • OLA
  • OLI
Prous via PubChem
  • 336382
In Man Serum Metabolome
SMDC Public
Sweetlead
  • SW01552
Natural Products Bioactive TCM Database @ Taiwan
  • 26090
  • tcm03_006476
Bioactive TTD Experimental
UNPD
  • UNPD196283
  • UNPD211839
  • UNPD48939
In Man Urine Metabolome
Bioactive Yeast Metabolome
13 Total Observations View All 9 Activities

Activities based on ChEMBL 20

Gene Name Class / Organism pKi (L.E.) Observations
FABP4: Fatty acid-binding protein, adipocyte auxiliary transport protein / atp-fabp (E) 6.73 (0.47) 1
TERT: Telomerase reverse transcriptase enzyme / enzyme-other (E) 5.07 (0.35) 1
FABP1: Fatty acid-binding protein, liver auxiliary transport protein / atp-fabp (E) 6.74 (0.47) 4
FABP5: Fatty acid-binding protein, epidermal auxiliary transport protein / atp-fabp (E) 6.61 (0.46) 1
PPARG: Peroxisome proliferator-activated receptor gamma Transcription factor / NR (E) 5.39 (0.38) 1
Run SEA View All 43

SEA Predictions based on ChEMBL 20

Gene Description Target Class P-Value Max Tc
ACAT Acyl-CoA:cholesterol acyltransferase Unclassified / unclassified 0 50
CDC25C M-phase inducer phosphatase 3 enzyme / phosphatase 0 57
FABP2 Fatty acid-binding protein, intestinal auxiliary transport protein / atp-fabp 0 74
SLC22A20 Solute carrier family 22 member 20 Unclassified / unclassified 0 74
TLR2 Toll-like receptor 2 membrane receptor / Membrane-other 0 74
Find All

Interesting Analogs

Scaffold of this compound

ZINC6845860

ZINC6845860

8217338 ZINC8217338

Sources of Ambiguity Find More

Substance Rings

This compound has no patterns of concern (or they have not yet been computed).

Molecular Patterns (Warnings, etc.)

carboxylate-sp3
Weak electrophile
heptanes
too floppy for docking (entropy)

View All 7 References

Doc Year Journal Volume Issue Pages Link
77049 2014 Bioorg. Med. Chem. 22 6 1804–1808 24581547
71482 2013 Med Chem Res 22 7 3126–3133 10.1007/s00044-012-0285-6
85868 2011 MedChemComm 2 4 229–245 10.1039/C0MD00241K
69877 2009 Med Chem Res 18 1 8–19 10.1007/s00044-008-9102-7
44435 2008 J. Med. Chem. 51 13 3755–3764 18533710

Clinical Trials

Trial ID Title Status Phase Start Date Condition(s) Drug(s)
NCT01661764 Fish Oil Supplementation, Nutrigenomics and Colorectal Cancer Prevention Recruiting Phase 2 Sep 2012
Colorectal Adenomatous Polyps
Eicosapentanoic acid and docosahexanoic acid
Oleic Acid
NCT01674946 Effect of Bile Acids on the Secretion of Satiation Peptides in Humans Completed Phase 1 Sep 2011
Echolocation
oleanolic acid
saline
bile acid (CDCA, chenodeoxycholic acid)
oleic acid
NCT00059254 Differential Metabolism of Dietary Fatty Acids Completed Phase 1 Sep 2000
Diabetes
Obesity
Hyperlipidemia
Oleic acid

Additional Identifiers (Synonyms/CAS Numbers/etc.)

CAS Numbers
Molecule Names
  • OLEIC ACID
Synonyms

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