Compound Detail
CHEMBL128144
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Basic Information
| ChEMBL ID | CHEMBL128144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZSRWFXCIUZSGA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.5
MW (Da)
5.69
ALogP
4
HBA
2
HBD
66.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 7900.0 | nM | 5.1 | In vitro growth inhibitory effect in human T-cell acute leukemia cells CCRF-CEM | 11689086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11689086 | 10.1021/jm010947r | CCRF-CEM | 2 |
Data from ChEMBL 36 via Core Engine