Compound Detail
CHEMBL417294
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Basic Information
| ChEMBL ID | CHEMBL417294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXWPCHWOKIESFJ-DTQAZKPQSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
4.29
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.75 | 4.625 | 17900.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 4.54 | 4.54 | 28900.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 4.37 | 4.37 | 42700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 12700.0 | nM | 4.9 | Inhibitory activity was tested against P388 cells | 10212121 |
| Protein skinhead-1 | IC50 | = | 17900.0 | nM | 4.75 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| CCRF-CEM | IC50 | = | 28900.0 | nM | 4.54 | Inhibitory activity was tested against CEM cells | 10212121 |
| Protein skinhead-1 | IC50 | = | 31600.0 | nM | 4.5 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| MOLT-4 | IC50 | = | 42700.0 | nM | 4.37 | Inhibitory activity was tested against Molt4/C8 cells | 10212121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212121 | 10.1021/jm9806695 | P388 | 2 |
| 10212121 | 10.1021/jm9806695 | L1210 | 2 |
| 10212121 | 10.1021/jm9806695 | MOLT-4 | 2 |
| 10212121 | 10.1021/jm9806695 | CCRF-CEM | 2 |
| 10212121 | 10.1021/jm9806695 | Tumor Cell line | 1 |
Data from ChEMBL 36 via Core Engine