Compound Detail
CHEMBL4570775
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Basic Information
| ChEMBL ID | CHEMBL4570775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HONUUNUHOKQPCN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
6.67
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.07 | 6.07 | 847.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 847.0 | nM | 6.07 | Cytotoxicity against human HCT116 cells assessed as reduction in cell growth mea... | 30818177 |
| HCT-116 | IC50 | = | 850.0 | nM | 6.07 | Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability... | 37804769 |
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 |
| 37804769 | 10.1016/j.ejmech.2023.115844 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine