Compound Detail
CHEMBL558653
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Basic Information
| ChEMBL ID | CHEMBL558653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOVDJYJVYGSBJQ-UNOMPAQXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.55
ALogP
5
HBA
3
HBD
86.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.09 | 4.09 | 81400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 81400.0 | nM | 4.09 | Antiproliferative activity against human K562 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 | NON-PROTEIN TARGET | 1 |
| 19589678 | 10.1016/j.bmcl.2009.06.071 | A549 | 1 |
| 31278004 | 10.1016/j.bmc.2019.06.042 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine