Compound Detail
CHEMBL50733
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Basic Information
| ChEMBL ID | CHEMBL50733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVYGSPOHTAYHJY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
4.96
ALogP
4
HBA
3
HBD
100.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 6.63 | 6.63 | 236.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 236.0 | nM | 6.63 | 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 | 1 |
| 2342072 | 10.1021/jm00168a037 | Cysteinyl leukotriene receptor 1 | 1 |
| 1320123 | 10.1021/jm00091a010 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine