Compound Detail
CHEMBL99775
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CC(C)(CS[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL99775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQCSHUUQIJHHLI-FQUAKNSKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
588.2
MW (Da)
9.19
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 0.3 | nM | 9.52 | 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