Compound Detail
CHEMBL227601
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Basic Information
| ChEMBL ID | CHEMBL227601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSQJLROSCBCNLW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.0
MW (Da)
4.28
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 4.86 | 4.86 | 13700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 13700.0 | nM | 4.86 | Cytotoxicity against human U937 cells | 17088067 |
| U-937 | IC50 | = | 13803.84 | nM | 4.86 | Anticancer activity against human U937 cells by MTS assay | 20056518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17088067 | 10.1016/j.bmc.2006.10.035 | U-937 | 1 |
| 20056518 | 10.1016/j.ejmech.2009.12.010 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine