Compound Detail
CHEMBL21595
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Basic Information
| ChEMBL ID | CHEMBL21595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTZPRMCKSZATQD-DEOSSOPVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
6.54
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | Ki | = | 60.0 | nM | 7.22 | Binding affinity against Cysteinyl leukotriene D4 receptor | 8709092 |
| Cysteinyl leukotriene receptor 1 | Ki | = | 60.0 | nM | 7.22 | Compound was evaluated for its ability to displace [3H]LTD4 from Cysteinyl leuko... | 1849993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709092 | 10.1021/jm960088k | Cysteinyl leukotriene receptor | 1 |
| 8709092 | 10.1021/jm960088k | Cavia porcellus | 1 |
| 8709092 | 10.1021/jm960088k | Homo sapiens | 1 |
| 1849993 | 10.1021/jm00108a001 | Cysteinyl leukotriene receptor 1 | 1 |
| 1849993 | 10.1021/jm00108a001 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine