Compound Detail
CHEMBL169743
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 | CHEMBL169743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKBRTGJMTHOBAG-DFBJGRDBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.49
ALogP
5
HBA
1
HBD
64.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Leukotriene B4 receptor 1 CHEMBL3911 | Ki | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 1300.0 | nM | 5.89 | In vitro inhibitory activity against leukotriene D4 receptor | - |
| Leukotriene B4 receptor 1 | Ki | = | 38000.0 | nM | 4.42 | In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00135-G | Cysteinyl leukotriene receptor 1 | 1 |
| - | 10.1016/0960-894X(95)00135-G | Leukotriene B4 receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine