Compound Detail
CHEMBL29539
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Basic Information
| ChEMBL ID | CHEMBL29539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVHBOFDLRWNNMW-DTQAZKPQSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
4.30
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| P388 CHEMBL389 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Tumor Cell line CHEMBL613974 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 340.0 | nM | 6.47 | Inhibitory activity was tested against L1210 cells | 10212121 |
| CCRF-CEM | IC50 | = | 350.0 | nM | 6.46 | Inhibitory activity was tested against CEM cells | 10212121 |
| MOLT-4 | IC50 | = | 470.0 | nM | 6.33 | Inhibitory activity was tested against Molt4/C8 cells | 10212121 |
| P388 | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory activity was tested against P388 cells | 10212121 |
| Tumor Cell line | IC50 | = | 3500.0 | nM | 5.46 | Inhibitory concentration against Human Jurkat T cells | 10212121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212121 | 10.1021/jm9806695 | Tumor Cell line | 5 |
| 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 |
Data from ChEMBL 36 via Core Engine