Compound Detail
CHEMBL418002
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Basic Information
| ChEMBL ID | CHEMBL418002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWHSQBQAQBXRMH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
4.57
ALogP
6
HBA
1
HBD
85.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 10.0 | nM | 8.0 | Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung ... | 2157010 |
| Cavia porcellus | IC50 | = | 12.0 | nM | 7.92 | Inhibition of LTC4-induced contractions from guinea pig peripheral lung strips | 2157010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2157010 | 10.1021/jm00166a017 | Cavia porcellus | 3 |
| 2157010 | 10.1021/jm00166a017 | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine