Compound Detail
CHEMBL49519
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 | CHEMBL49519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMQWBUKHNFPDCT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.31
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]LTD4 on guinea pig lung parenchymal membranes | 2342072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2342071 | 10.1021/jm00168a036 | Cavia porcellus | 2 |
| 2342072 | 10.1021/jm00168a037 | Cysteinyl leukotriene receptor | 1 |
| 2342072 | 10.1021/jm00168a037 | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine