Compound Detail
CHEMBL114777
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Basic Information
| ChEMBL ID | CHEMBL114777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKPFKJVYGDJCLE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.35
ALogP
3
HBA
1
HBD
58.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of leukotriene A4 hydrolase in human recombinant assay | 12419366 |
| Homo sapiens | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of leukotriene B4 production in human whole blood | 12419366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12419366 | 10.1016/s0960-894x(02)00760-6 | Leukotriene A-4 hydrolase | 1 |
| 12419366 | 10.1016/s0960-894x(02)00760-6 | Homo sapiens | 1 |
| 12419366 | 10.1016/s0960-894x(02)00760-6 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine