Compound Detail
CHEMBL338876
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Basic Information
| ChEMBL ID | CHEMBL338876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJXFQEBRXDBEAV-FNORWQNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
3.80
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 3300.0 | nM | 5.48 | In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes | 1331447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23036332 | 10.1016/j.bmc.2012.08.036 | Candida albicans | 19 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Cryptococcus neoformans | 17 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Candida tropicalis | 2 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Pichia kudriavzevii | 2 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Candida parapsilosis | 2 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Nakaseomyces glabratus | 2 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Trichophyton mentagrophytes | 2 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Trichophyton rubrum | 2 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Nannizzia gypsea | 2 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Aspergillus niger | 2 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Aspergillus flavus | 2 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Aspergillus fumigatus | 2 |
| 23036332 | 10.1016/j.bmc.2012.08.036 | Saccharomyces cerevisiae | 2 |
| 1331447 | 10.1021/jm00099a011 | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine