Compound Detail
CHEMBL8659
OLEIC ACID 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL8659 |
| Name | OLEIC ACID |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
20
Targets
32
Activities
4
Assay Types
0
PK Parameters
20
Publications
12
Known Names
2
Indications
Molecular Properties
282.5
MW (Da)
6.11
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Adenoma Multiple Sclerosis
Activity Summary
IC50 15 meas. best 6.22
Ki 7 meas. best 6.75
EC50 5 meas. best 5.02
Kd 5 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, liver CHEMBL5738 | Ki | 6.75 | 6.145 | 180.0 | 2 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 6.73 | 6.275 | 185.0 | 2 |
| Fatty acid-binding protein, liver CHEMBL5421 | Kd | 6.7 | 6.375 | 200.0 | 2 |
| Fatty acid-binding protein 5 CHEMBL3674 | Ki | 6.61 | 6.61 | 248.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 6.22 | 6.22 | 600.0 | 2 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.0 | 5.0 | 10000.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 4.98 | 4.98 | 10410.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.68 | 4.5333 | 21000.0 | 3 |
| Seed linoleate 13S-lipoxygenase-1 CHEMBL4586 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | IC50 | 4.58 | 4.58 | 26100.0 | 1 |
| DNA topoisomerase 1 CHEMBL1781 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 4.49 | 4.49 | 32700.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.44 | 4.44 | 36000.0 | 1 |
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | Kd | 4.3 | 4.3 | 50000.0 | 1 |
| Coagulation factor VII/tissue factor CHEMBL2095194 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
| NAD-dependent protein deacylase sirtuin-6 CHEMBL2163182 | EC50 | 4.05 | 4.05 | 89000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine