Compound Detail
CHEMBL335822
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Basic Information
| ChEMBL ID | CHEMBL335822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXQUFHKBMSFBNT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
380.2
MW (Da)
5.51
ALogP
1
HBA
3
HBD
60.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 3500.0 | nM | 5.46 | Antiproliferative activity against P388 Murine Leukemia cells | 8893841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8893841 | 10.1021/jm9603779 | Protein kinase C alpha type | 1 |
| 8893841 | 10.1021/jm9603779 | Unchecked | 1 |
| 8893841 | 10.1021/jm9603779 | B16 | 1 |
| 8893841 | 10.1021/jm9603779 | P388 | 1 |
| 8893841 | 10.1021/jm9603779 | DNA topoisomerase 1 | 1 |
| 8893841 | 10.1021/jm9603779 | DNA topoisomerase 2-beta | 1 |
| 8893841 | 10.1021/jm9603779 | Bacillus cereus | 1 |
Data from ChEMBL 36 via Core Engine