Compound Detail
CHEMBL551679
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Basic Information
| ChEMBL ID | CHEMBL551679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKLFOFISPCBONH-SFHVURJKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
3.30
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.35 | 4.315 | 44700.0 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.12 | 4.12 | 75100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 44700.0 | nM | 4.35 | Inhibition of clonogenic survival of human MCF7 cells after 10 days by microscop... | 19694470 |
| MCF7 | IC50 | = | 52700.0 | nM | 4.28 | Inhibition of clonogenic survival of tumor necrosis factor-resistant human MCF7 ... | 19694470 |
| MDA-MB-231 | IC50 | = | 75100.0 | nM | 4.12 | Inhibition of clonogenic survival of endocrine-resistant human MDA-MB-231 cells ... | 19694470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19694470 | 10.1021/jm9009668 | MCF7 | 4 |
| 19694470 | 10.1021/jm9009668 | MDA-MB-231 | 2 |
Data from ChEMBL 36 via Core Engine