Compound Detail
CHEMBL5400001
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Basic Information
| ChEMBL ID | CHEMBL5400001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEBXWPXHWCMNOS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
4.59
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene C4 synthase CHEMBL1743183 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene C4 synthase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of LTC4 (unknown origin) | 36731273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36731273 | 10.1016/j.ejmech.2023.115151 | Leukotriene C4 synthase | 1 |
Data from ChEMBL 36 via Core Engine