Compound Detail
CHEMBL82033
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Basic Information
| ChEMBL ID | CHEMBL82033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEAPEQBCDVILQF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.92
ALogP
7
HBA
2
HBD
111.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | IC50 | 7.89 | 7.89 | 12.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | IC50 | = | 13.0 | nM | 7.89 | Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum | 3336036 |
| Cysteinyl leukotriene receptor | IC50 | = | 12.88 | nM | 7.89 | Inhibition of LTC4-induced contraction of isolated guinea pig ileum. | 1619618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3336036 | 10.1021/jm00396a013 | Cysteinyl leukotriene receptor | 1 |
| 1619618 | 10.1021/jm00091a011 | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine