Compound Detail
CHEMBL2018615
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Basic Information
| ChEMBL ID | CHEMBL2018615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYRRYMCMCWPBSV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.85
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.42 | 6.135 | 381.0 | 2 |
| SW480 CHEMBL612544 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| TCF4/beta-catenin CHEMBL3038511 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 381.0 | nM | 6.42 | Growth inhibition of human HCT116 cells assessed as clonogenic growth after 9 da... | 22229647 |
| SW480 | IC50 | = | 1000.0 | nM | 6.0 | Growth inhibition of human SW480 cells assessed as viable cells after 3 days usi... | 22229647 |
| HCT-116 | IC50 | = | 1400.0 | nM | 5.85 | Growth inhibition of human HCT116 cells assessed as viable cells after 3 days us... | 22229647 |
| TCF4/beta-catenin | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of beta-casein/TCF4 pathway expressed in HCT116 cells containing delt... | 22229647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22229647 | 10.1021/jm201494a | HCT-116 | 2 |
| 22229647 | 10.1021/jm201494a | TCF4/beta-catenin | 1 |
| 22229647 | 10.1021/jm201494a | SW480 | 1 |
Data from ChEMBL 36 via Core Engine