Compound Detail
CHEMBL4533079
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Basic Information
| ChEMBL ID | CHEMBL4533079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWBUDHQCIULCPL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
0.78
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4T1 CHEMBL612589 | IC50 | 4.04 | 4.04 | 92300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4T1 | IC50 | = | 92300.0 | nM | 4.04 | Cytotoxicity against mouse 4T1 cells after 72 hrs by MTT assay | 30654237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30654237 | 10.1016/j.ejmech.2019.01.001 | CT26.WT | 1 |
| 30654237 | 10.1016/j.ejmech.2019.01.001 | 4T1 | 1 |
| 30654237 | 10.1016/j.ejmech.2019.01.001 | BHK-21 | 1 |
Data from ChEMBL 36 via Core Engine