Compound Detail
CHEMBL125135
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Basic Information
| ChEMBL ID | CHEMBL125135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMIFZDOUMOUGOQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.0
MW (Da)
5.88
ALogP
6
HBA
2
HBD
96.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | IC50 | 7.87 | 7.87 | 13.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 13.6 | nM | 7.87 | In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes | 1331447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1331447 | 10.1021/jm00099a011 | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine