Compound Detail
CHEMBL327942
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C[C@H](S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL327942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXIAQEGNVCWRGS-FPGBCWEHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
574.2
MW (Da)
8.80
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 2.3 | nM | 8.64 | Concentration required for inhibition of binding of [3H]LTD4 to guinea pig lung ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00023-M | Mus musculus | 2 |
| - | 10.1016/0960-894X(95)00023-M | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine