Compound Detail
CHEMBL11687
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Basic Information
| ChEMBL ID | CHEMBL11687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGDMPCXGTASNNX-NTCAYCPXSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
5.41
ALogP
4
HBA
1
HBD
76.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Kd 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL1798 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Cysteinyl leukotriene receptor CHEMBL2094254 | Kd | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 31.0 | nM | 7.51 | Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibiti... | 20621485 |
| Cysteinyl leukotriene receptor | Kd | = | 31.0 | nM | 7.51 | Displacement of [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lu... | 9089329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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