Compound Detail
CHEMBL173278
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 | CHEMBL173278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIDJJLWLAREHSX-CCEZHUSRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.70
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Cysteinyl leukotriene receptor CHEMBL2094254 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of cysteinyl leukotriene receptor in guinea pig trachea strip assesse... | 28252961 |
| Cysteinyl leukotriene receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum | 3336036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3336036 | 10.1021/jm00396a013 | Cysteinyl leukotriene receptor | 1 |
| 3336036 | 10.1021/jm00396a013 | Cavia porcellus | 1 |
| 28252961 | 10.1021/acs.jmedchem.6b01287 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine