Compound Detail
CHEMBL319931
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Basic Information
| ChEMBL ID | CHEMBL319931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAWLBBIQPOSEMR-RVDMUPIBSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.92
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 5.25 | 5.25 | 5690.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.1 | 5.1 | 7940.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.07 | 5.07 | 8558.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.66 | 4.66 | 22100.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.56 | 4.56 | 27300.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 5690.0 | nM | 5.25 | Inhibitory activity against Murine P388 cells | 12086496 |
| Sentrin-specific protease 7 | IC50 | = | 7940.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| CCRF-CEM | IC50 | = | 8558.0 | nM | 5.07 | Inhibitory concentration against CEM T-lymphocytes | 12086496 |
| NON-PROTEIN TARGET | IC50 | = | 11600.0 | nM | 4.94 | Inhibitory concentration against proliferation of human Molt 4/C8 cells | 12086496 |
| Sentrin-specific protease 6 | IC50 | = | 15800.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 22100.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 27300.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| L1210 | IC50 | = | 42000.0 | nM | 4.38 | Inhibitory activity against L1210 leukemia cells | 12086496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086496 | 10.1021/jm010559p | P388 | 1 |
| 12086496 | 10.1021/jm010559p | L1210 | 1 |
| 12086496 | 10.1021/jm010559p | NON-PROTEIN TARGET | 1 |
| 12086496 | 10.1021/jm010559p | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine