Compound Detail
CHEMBL11899
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Basic Information
| ChEMBL ID | CHEMBL11899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQGVZKQWFKFPHB-NTUHNPAUSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.60
ALogP
7
HBA
2
HBD
113.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Kd 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL1798 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Cysteinyl leukotriene receptor CHEMBL2094254 | Kd | 7.85 | 7.85 | 14.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 14.0 | nM | 7.85 | Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibiti... | 20621485 |
| Cysteinyl leukotriene receptor | Kd | = | 14.0 | nM | 7.85 | Displacement of [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lu... | 9089329 |
| Cavia porcellus | IC50 | = | 240.0 | nM | 6.62 | Inhibition of LTD4 induced contraction of guinea pig ileum | 9089329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9089329 | 10.1021/jm960628d | Cavia porcellus | 3 |
| 9089329 | 10.1021/jm960628d | Cysteinyl leukotriene receptor | 1 |
| 20621485 | 10.1016/j.bmc.2010.06.047 | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine