Compound Detail
CHEMBL329123
ETALOCIB 🧪 Phase II
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
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL329123 |
| Name | ETALOCIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YFIZRWPXUYFCSN-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
5
Known Names
3
Indications
2
Mechanisms
Molecular Properties
544.6
MW (Da)
8.05
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Leukotriene B4 receptor 1 antagonist | ANTAGONIST | Leukotriene B4 receptor 1 | ✓ | ✓ |
| Peroxisome proliferator-activated receptor gamma agonist | AGONIST | Peroxisome proliferator-activated receptor gamma | ✓ | ✓ |
Indications
Carcinoma, Non-Small-Cell Lung Pancreatic Neoplasms Neoplasms
Activity Summary
IC50 3 meas. best 8.48
Ki 3 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 8.41 | 8.055 | 3.9 | 2 |
| Leukotriene B4 receptor CHEMBL2095160 | Ki | 8.18 | 7.975 | 6.6 | 2 |
| Leukotriene B4 receptor 1 CHEMBL3911 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | IC50 | = | 3.3 | nM | 8.48 | Inhibition of LTB4 induced expression of human neutrophil integrin CD11b/CD18. | 7473568 |
| Homo sapiens | IC50 | = | 3.9 | nM | 8.41 | Compound was tested in vitro inhibitory activity against human neutrophil CD11b/... | 8709092 |
| Leukotriene B4 receptor | Ki | = | 6.6 | nM | 8.18 | Binding affinity towards Leukotriene B4 receptor guinea pig lung membrane using ... | 7473568 |
| Leukotriene B4 receptor | Ki | = | 17.0 | nM | 7.77 | Binding affinity towards human LTB4 receptor measured as inhibition of binding o... | 7473568 |
| Homo sapiens | IC50 | = | 20.0 | nM | 7.7 | Compound was tested in vitro inhibitory activity against LTB4 induced Ca mobiliz... | 8709092 |
| Leukotriene B4 receptor 1 | Ki | = | 25.0 | nM | 7.6 | Compound was tested for inhibitory activity against human neutrophil LTB4 recept... | 8709092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473568 | 10.1021/jm00022a006 | Leukotriene B4 receptor | 3 |
| 8709092 | 10.1021/jm960088k | Homo sapiens | 2 |
| 8709092 | 10.1021/jm960088k | Cavia porcellus | 2 |
| 8709092 | 10.1021/jm960088k | Leukotriene B4 receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine