Compound Detail
CHEMBL108766
DODECANOATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL108766 |
| Name | DODECANOATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POULHZVOKOAJMA-UHFFFAOYSA-N |
6
Targets
16
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
200.3
MW (Da)
3.99
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 10 meas. best 6.12
IC50 5 meas. best 4.52
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.12 | 5.3867 | 758.6 | 3 |
| G-protein coupled receptor 84 CHEMBL3714079 | Ki | 5.66 | 5.66 | 2170.0 | 1 |
| G-protein coupled receptor 84 CHEMBL3714079 | EC50 | 5.46 | 5.0983 | 3490.0 | 6 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 5.12 | 5.12 | 7585.8 | 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
Literature References
Data from ChEMBL 36 via Core Engine