Compound Detail
CHEMBL1173381
ARACHIDIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1173381 |
| Name | ARACHIDIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKOBVWXKNCXXDE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
312.5
MW (Da)
7.11
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mi... | 32255628 |
| Acetylcholinesterase | IC50 | = | 12800.0 | nM | 4.89 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate prei... | 30220607 |
| Peroxisome proliferator-activated receptor delta | IC50 | = | 30000.0 | nM | 4.52 | Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scint... | - |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 30000.0 | nM | 4.52 | Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by sci... | - |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 30000.0 | nM | 4.52 | Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scint... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30176215 | 10.1021/acs.jmedchem.8b00734 | Transient receptor potential cation channel subfamily V member 2 | 2 |
| 30220607 | 10.1016/j.bmcl.2018.09.013 | Acetylcholinesterase | 2 |
| 20565070 | 10.1021/np1000945 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-012-0285-6 | Peroxisome proliferator-activated receptor delta | 1 |
| - | 10.1007/s00044-012-0285-6 | Peroxisome proliferator-activated receptor gamma | 1 |
| - | 10.1007/s00044-012-0285-6 | Peroxisome proliferator-activated receptor alpha | 1 |
| 30220607 | 10.1016/j.bmcl.2018.09.013 | Cholinesterase | 1 |
| 32255628 | 10.1021/acs.jnatprod.0c00070 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine