Compound Detail
CHEMBL1173380
ERUCIC ACID Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1173380 |
| Name | ERUCIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPUOLQHDNGRHBS-KTKRTIGZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
338.6
MW (Da)
7.67
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 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 |
|---|---|---|---|---|---|---|---|
| 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 |
|---|---|---|---|
| 31678743 | 10.1016/j.ejmech.2019.111810 | Staphylococcus aureus | 3 |
| 30176215 | 10.1021/acs.jmedchem.8b00734 | Transient receptor potential cation channel subfamily V member 2 | 2 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Escherichia coli | 2 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Pseudomonas aeruginosa | 2 |
| 20565070 | 10.1021/np1000945 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-008-9102-7 | Peroxisome proliferator-activated receptor alpha | 1 |
| - | 10.1007/s00044-012-0114-y | Phospholipase A2 | 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 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Staphylococcus epidermidis | 1 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Enterococcus hirae | 1 |
| 31618024 | 10.1021/acs.jmedchem.9b00994 | RBL-2H3 | 1 |
Data from ChEMBL 36 via Core Engine