Compound Detail
CHEMBL160719
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Basic Information
| ChEMBL ID | CHEMBL160719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SATBUYQGDIDZHT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.51
ALogP
5
HBA
3
HBD
97.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-8 CHEMBL613510 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-8 | IC50 | = | 5.9 | nM | 8.23 | In vitro inhibitory activity was determined against Human colon tumor (HCT-8) ce... | 3560160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3560160 | 10.1021/jm00387a013 | Calf thymus DNA | 2 |
| 3560160 | 10.1021/jm00387a013 | No relevant target | 1 |
| 3560160 | 10.1021/jm00387a013 | HCT-8 | 1 |
| 3560160 | 10.1021/jm00387a013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine