Compound Detail
CHEMBL392849
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Basic Information
| ChEMBL ID | CHEMBL392849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYGSVWCPRDKUTQ-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.20
ALogP
3
HBA
2
HBD
62.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 3000.0 | nM | 5.52 | Growth inhibition of human HCT116 cells by MTT assay | 17376678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17376678 | 10.1016/j.bmcl.2006.09.093 | HCT-116 | 1 |
| 17376678 | 10.1016/j.bmcl.2006.09.093 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine