Compound Detail
CHEMBL3347459
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Basic Information
| ChEMBL ID | CHEMBL3347459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULIFFDGYBPHWRP-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.6
MW (Da)
5.43
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.83 | 4.83 | 14900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 10300.0 | nM | 4.99 | Growth inhibition of human MCF7 cells after 72 hrs by MTT assay | - |
| MDA-MB-231 | IC50 | = | 14900.0 | nM | 4.83 | Growth inhibition of human MDA-MB-231 cells after 72 hrs by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20185B | MDA-MB-231 | 4 |
| - | 10.1039/C2MD20185B | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine