Compound Detail
CHEMBL3133728
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Basic Information
| ChEMBL ID | CHEMBL3133728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCXJUDBCPXKZAZ-FJJYHAOUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
0.13
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Raji CHEMBL614628 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human Raji cells assessed as inhibition of cell proliferati... | - |
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human MDA-MB-132 cells assessed as inhibition of cell proli... | - |
| DU-145 | IC50 | = | 5000.0 | nM | 5.3 | Cytotoxicity against human DU145 cells assessed as inhibition of cell proliferat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00094J | NON-PROTEIN TARGET | 1 |
| - | 10.1039/C3MD00094J | Raji | 1 |
| - | 10.1039/C3MD00094J | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine