Compound Detail
CHEMBL4458136
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Basic Information
| ChEMBL ID | CHEMBL4458136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYBIAJCZJNONLY-WEYHMNGJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
1.39
ALogP
7
HBA
2
HBD
110.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.89 | 4.875 | 12900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 12900.0 | nM | 4.89 | Cytotoxicity against human HCT116 cells assessed as cell growth inhibition after... | 30633861 |
| HCT-116 | IC50 | = | 13700.0 | nM | 4.86 | Cytotoxicity against human HCT116 cells assessed as cell growth inhibition after... | 30633861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30633861 | 10.1021/acs.jmedchem.8b01742 | HCT-116 | 2 |
Data from ChEMBL 36 via Core Engine