Compound Detail
CHEMBL562882
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Basic Information
| ChEMBL ID | CHEMBL562882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEBDORAQRYDYIB-JXMROGBWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
5.68
ALogP
3
HBA
3
HBD
73.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.74 | 4.74 | 18100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3300.0 | nM | 5.48 | Antiproliferative activity against human JR8 cells after 72 hrs by trypan blue a... | 19155103 |
| HL-60 | IC50 | = | 5600.0 | nM | 5.25 | Antiproliferative activity against human HL60 cells after 72 hrs by trypan blue ... | 19155103 |
| HeLa | IC50 | = | 18100.0 | nM | 4.74 | Antiproliferative activity against human HeLa cells after 72 hrs by trypan blue ... | 19155103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19155103 | 10.1016/j.ejmech.2008.12.011 | HL-60 | 1 |
| 19155103 | 10.1016/j.ejmech.2008.12.011 | HeLa | 1 |
| 19155103 | 10.1016/j.ejmech.2008.12.011 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine