Compound Detail
CHEMBL4572442
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Basic Information
| ChEMBL ID | CHEMBL4572442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGMFRWVEKRJKFW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.8
MW (Da)
4.37
ALogP
4
HBA
0
HBD
38.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.34 | 6.34 | 461.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 461.8 | nM | 6.34 | Cytotoxicity against human HCT116 cells assessed as reduction in cell growth mea... | 30818177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30818177 | 10.1016/j.ejmech.2019.02.038 | HCT-116 | 1 |
| 30818177 | 10.1016/j.ejmech.2019.02.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine