Compound Detail
CHEMBL4064780
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Basic Information
| ChEMBL ID | CHEMBL4064780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBCJKNNKDPEEEA-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.02
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 7500.0 | nM | 5.12 | Antiproliferative activity in human MCF7 cells assessed as cell viability after ... | 27689728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27689728 | 10.1016/j.ejmech.2016.09.048 | MCF-10A | 3 |
| 27689728 | 10.1016/j.ejmech.2016.09.048 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine