Compound Detail
CHEMBL51061
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COc1cc(C(=O)O)ccc1Cc1cn(Cc2cccc(C#N)c2)c2ccc(NC(=O)CC3CCCC3)cc12
Basic Information
| ChEMBL ID | CHEMBL51061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJEADJFDJNIWOM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
6.38
ALogP
5
HBA
2
HBD
104.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | Ki | = | 10.0 | nM | 8.0 | Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal ... | 2342072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2342072 | 10.1021/jm00168a037 | Cysteinyl leukotriene receptor | 2 |
Data from ChEMBL 36 via Core Engine