Compound Detail
CHEMBL14857
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Basic Information
| ChEMBL ID | CHEMBL14857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBCNLXQJCDOCAL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.34
ALogP
4
HBA
0
HBD
54.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 36.0 | nM | 7.44 | In vitro inhibition of recombinant human leukotriene A4 hydrolase. | 12643929 |
| Homo sapiens | IC50 | = | 65.0 | nM | 7.19 | Inhibition of LTB4 production from whole human blood. | 12643929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643929 | 10.1016/s0960-894x(03)00039-8 | Leukotriene A-4 hydrolase | 1 |
| 12643929 | 10.1016/s0960-894x(03)00039-8 | Homo sapiens | 1 |
| 12643929 | 10.1016/s0960-894x(03)00039-8 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine