Compound Detail
CHEMBL15161
L-695499 Enter ChEMBL ID:
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CCC[C@H](CS[C@@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL15161 |
| Name | L-695499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFVHVNKZLUZFFI-YHFVJFFQSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
588.2
MW (Da)
9.19
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Kd 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Kd | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 0.9 | nM | 9.05 | Inhibitory concentration against [3H]Leukotriene D4 binding to guinea-pig lung m... | - |
| Cysteinyl leukotriene receptor 1 | Kd | = | 1.585 | nM | 8.8 | Inhibition of Leukotriene D4 induced contraction of guinea-pig trachea was deter... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80635-6 | Cysteinyl leukotriene receptor 1 | 2 |
| - | 10.1016/S0960-894X(00)80635-6 | Cavia porcellus | 1 |
| - | 10.1016/S0960-894X(00)80635-6 | Monkey | 1 |
| - | 10.1016/S0960-894X(00)80635-6 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine