Compound Detail
CHEMBL30095
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Basic Information
| ChEMBL ID | CHEMBL30095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWXLDILHUGGCBX-GXDHUFHOSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.81
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.28
EC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 5.1 | 5.1 | 8010.0 | 1 |
| P388 CHEMBL389 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.88 | 4.88 | 13300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 5300.0 | nM | 5.28 | Inhibitory activity was tested against CEM cells | 10212121 |
| MOLT-4 | IC50 | = | 8010.0 | nM | 5.1 | Inhibitory activity was tested against Molt4/C8 cells | 10212121 |
| P388 | IC50 | = | 12000.0 | nM | 4.92 | Inhibitory activity was tested against P388 cells | 10212121 |
| Protein RecA | EC50 | = | 13300.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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