Compound Detail
CHEMBL56830
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Basic Information
| ChEMBL ID | CHEMBL56830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMGLBIYQPSZSII-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.70
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LLTC cell line CHEMBL614093 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| P388 CHEMBL389 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LLTC cell line | IC50 | = | 17.0 | nM | 7.77 | Inhibitory concentration required to reduce Lewis lung carcinoma cell number to ... | 9191970 |
| P388 | IC50 | = | 18.0 | nM | 7.75 | Inhibitory concentration required to reduce murine p388 leukemia cell number to ... | 9191970 |
| Jurkat | IC50 | = | 75.0 | nM | 7.12 | Inhibitory concentration required to reduce human Jurkat leukemia (JLC sensitive... | 9191970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191970 | 10.1021/jm970004n | Jurkat | 3 |
| 9191970 | 10.1021/jm970004n | P388 | 1 |
| 9191970 | 10.1021/jm970004n | LLTC cell line | 1 |
Data from ChEMBL 36 via Core Engine