Compound Detail
CHEMBL468570
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Basic Information
| ChEMBL ID | CHEMBL468570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOBAVTGWSRCIHE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
5.05
ALogP
3
HBA
2
HBD
42.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.66 | 4.53 | 22000.0 | 2 |
| T98G CHEMBL614775 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 22000.0 | nM | 4.66 | Growth inhibition of human U373 cells after 72 hrs by MTT assay | 22809560 |
| NON-PROTEIN TARGET | IC50 | = | 40000.0 | nM | 4.4 | Growth inhibition of human Hs683 cells after 72 hrs by MTT assay | 22809560 |
| T98G | IC50 | = | 42000.0 | nM | 4.38 | Growth inhibition of human T98G cells after 72 hrs by MTT assay | 22809560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22809560 | 10.1016/j.ejmech.2012.06.050 | T98G | 2 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | NON-PROTEIN TARGET | 2 |
| 18406154 | 10.1016/j.bmc.2008.03.065 | Unchecked | 1 |
| 18406154 | 10.1016/j.bmc.2008.03.065 | Aorta | 1 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | B16-F10 | 1 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | Unchecked | 1 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | Hs 683 | 1 |
Data from ChEMBL 36 via Core Engine