Compound Detail
CHEMBL1195663
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Basic Information
| ChEMBL ID | CHEMBL1195663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSRYQTKAUSVEDP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
6.68
ALogP
6
HBA
0
HBD
48.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human MCF7 cells | 22405286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22405286 | 10.1016/j.ejmech.2012.02.021 | Estrogen receptor | 1 |
| 22405286 | 10.1016/j.ejmech.2012.02.021 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine