Compound Detail
CHEMBL2012366
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Basic Information
| ChEMBL ID | CHEMBL2012366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPWLHEDILCRWDF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
3.58
ALogP
7
HBA
0
HBD
75.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.38 | 4.38 | 41710.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.35 | 4.35 | 44600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 41710.0 | nM | 4.38 | Cytotoxicity against human K562 cells after 72 hrs by MTS assay | 22405646 |
| NON-PROTEIN TARGET | IC50 | = | 44600.0 | nM | 4.35 | Cytotoxicity against human K562/A02 cells expressing p-glycoprotein after 72 hrs... | 22405646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22405646 | 10.1016/j.ejmech.2012.02.034 | NON-PROTEIN TARGET | 1 |
| 22405646 | 10.1016/j.ejmech.2012.02.034 | K562 | 1 |
Data from ChEMBL 36 via Core Engine