Compound Detail
CHEMBL319918
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Basic Information
| ChEMBL ID | CHEMBL319918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSDGTBGJKOTHCN-SOFGYWHQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.70
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.65 | 4.65 | 22200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 22200.0 | nM | 4.65 | The compound was tested for antiproliferative activity against MCF-7 human breas... | 11720850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11720850 | 10.1016/s0960-894x(01)00617-5 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine