OLEIC ACID

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2UMI9U37CP

Structure
InChI Key ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Smile CCCCCCCC/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34O2
Molecular Weight 282.47
AlogP 6.11
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Fatty acid binding protein family
- 26100 200-900 180-2900 66.8-82.1
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 32700 - - -
Enzyme Hydrolase
- - - 6000 -
Enzyme Isomerase
- 31000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 510.5 - - -
Enzyme Oxidoreductase
- - - 22000 -
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase
- 6200 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 80000 - - -
Enzyme Transferase
- 8600 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class III
89000-90000 - - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
10410 - - - -
Membrane receptor
- 80000 - - -
Surface antigen
- 80000 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 1
36000 600-600 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 2
- 5300 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
- 4100 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 4 Nuclear hormone receptor subfamily 4 group A Nuclear hormone receptor subfamily 4 group A member 2
- - 50000 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Adenoma 2 D000236 ClinicalTrials
Multiple Sclerosis 1 D009103 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 112-80-1
ChEBI 16196
ChEMBL CHEMBL8659
DrugCentral 3400
EPA CompTox DTXSID1025809
FDA SRS 2UMI9U37CP
Human Metabolome Database HMDB00207
Guide to Pharmacology 1054
KEGG C00712
PDB OLA
PubChem 445639
SureChEMBL SCHEMBL1138
ZINC ZINC000006845860
CONTENTS