Compound Detail
CHEMBL560874
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Basic Information
| ChEMBL ID | CHEMBL560874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJABHFNRDJIXCG-YZSQISJMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
5.97
ALogP
3
HBA
2
HBD
52.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.49 | 4.49 | 32200.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.4 | 4.4 | 39800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.39 | 4.39 | 40700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 32200.0 | nM | 4.49 | Antiproliferative activity against human K562 cells by MTT assay | 19589678 |
| A549 | IC50 | = | 39800.0 | nM | 4.4 | Antiproliferative activity against human A549 cells by MTT assay | 19589678 |
| NON-PROTEIN TARGET | IC50 | = | 40700.0 | nM | 4.39 | Antiproliferative activity against human SPC-A1 cells by MTT assay | 19589678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19589678 | 10.1016/j.bmcl.2009.06.071 | A2780 | 2 |
| 19589678 | 10.1016/j.bmcl.2009.06.071 | K562 | 1 |
| 19589678 | 10.1016/j.bmcl.2009.06.071 | A549 | 1 |
| 19589678 | 10.1016/j.bmcl.2009.06.071 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine