Compound Detail
CHEMBL5571121
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O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5571121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MILFNWMXOQXGFV-YLHCSOALSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
529.4
MW (Da)
6.35
ALogP
4
HBA
2
HBD
73.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.18 | 5.18 | 6640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6640.0 | nM | 5.18 | Inhibition of soybean 15-LOX | 37862815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37862815 | 10.1016/j.ejmech.2023.115866 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine