Compound Detail
CHEMBL453509
PALMITOLEIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL453509 |
| Name | PALMITOLEIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SECPZKHBENQXJG-FPLPWBNLSA-N |
5
Targets
12
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
254.4
MW (Da)
5.33
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 5.77 | 5.77 | 1700.0 | 2 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.4 | 4.14 | 40000.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9834151 | 10.1021/np980117p | Unchecked | 5 |
| 8377015 | 10.1021/np50097a010 | Enterococcus faecalis | 1 |
| 32255628 | 10.1021/acs.jnatprod.0c00070 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 27750201 | 10.1016/j.ejmech.2016.09.086 | Unchecked | 1 |
| - | 10.1039/C0MD00241K | Telomerase reverse transcriptase | 1 |
| - | 10.1007/s00044-012-0285-6 | Peroxisome proliferator-activated receptor alpha | 1 |
| - | 10.1007/s00044-012-0285-6 | Peroxisome proliferator-activated receptor gamma | 1 |
| - | 10.1007/s00044-012-0285-6 | Peroxisome proliferator-activated receptor delta | 1 |
| - | 10.1007/s00044-008-9102-7 | Peroxisome proliferator-activated receptor alpha | 1 |
| 19374389 | 10.1021/np900003a | Peroxisome proliferator-activated receptor gamma | 1 |
| 8377015 | 10.1021/np50097a010 | Staphylococcus aureus | 1 |
| 8377015 | 10.1021/np50097a010 | Bacillus subtilis | 1 |
| 8377015 | 10.1021/np50097a010 | Bacillus cereus | 1 |
| 8377015 | 10.1021/np50097a010 | Geobacillus stearothermophilus | 1 |
| 9834151 | 10.1021/np980117p | Trypsin | 1 |
| 9834151 | 10.1021/np980117p | No relevant target | 1 |
| 9834151 | 10.1021/np980117p | Coagulation factor VII/tissue factor | 1 |
Data from ChEMBL 36 via Core Engine