Compound Detail
CHEMBL4860684
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Basic Information
| ChEMBL ID | CHEMBL4860684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQKNFTLRMZOAMG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.0
MW (Da)
1.90
ALogP
2
HBA
0
HBD
53.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BALL-1 CHEMBL2366269 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
| Peroxiredoxin-1 CHEMBL5315 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BALL-1 | IC50 | = | 1050.0 | nM | 5.98 | Cytotoxicity against human BALL-1 cells assessed as reduction in cell viability ... | 34015702 |
| Peroxiredoxin-1 | IC50 | = | 14800.0 | nM | 4.83 | Inhibition of PRDX1 (unknown origin) in presence of cofactor A/cofactor B/NADPH ... | 37499289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34015702 | 10.1016/j.bmc.2021.116203 | Paired mesoderm homeobox protein 1 | 2 |
| 34015702 | 10.1016/j.bmc.2021.116203 | BALL-1 | 1 |
| 37499289 | 10.1016/j.ejmech.2023.115656 | Peroxiredoxin-1 | 1 |
| 37499289 | 10.1016/j.ejmech.2023.115656 | A549 | 1 |
Data from ChEMBL 36 via Core Engine