Compound Detail
CHEMBL93884
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Basic Information
| ChEMBL ID | CHEMBL93884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYQOWAHXMWGEJG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
3.25
ALogP
4
HBA
2
HBD
59.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.67
Ki 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.67 | 4.67 | 21600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 46.0 | nM | 7.34 | Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-... | 12801237 |
| MCF7 | IC50 | = | 21600.0 | nM | 4.67 | In vitro cytotoxicity against MCF-7 human mammary carcinoma cells | 10514287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514287 | 10.1021/jm990104o | MCF7 | 1 |
| 8765521 | 10.1021/jm9600959 | MCF7 | 1 |
| 8765521 | 10.1021/jm9600959 | MDA-MB-468 | 1 |
| 12801237 | 10.1021/jm030026b | No relevant target | 1 |
| 12801237 | 10.1021/jm030026b | Amyloid-beta precursor protein | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine