Compound Detail
CHEMBL114408
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Basic Information
| ChEMBL ID | CHEMBL114408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDLWGEXLAMKZHI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
2.71
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 68000.0 | nM | 4.17 | Tested for the inhibitory activity against CCRF CEM T- cell leukemia cells | 7932571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932571 | 10.1021/jm00046a028 | CCRF-CEM | 1 |
| 7932571 | 10.1021/jm00046a028 | DNA topoisomerase 2-beta | 1 |
| 7932571 | 10.1021/jm00046a028 | Rattus norvegicus | 1 |
| 7932571 | 10.1021/jm00046a028 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine