Compound Detail
CHEMBL205877
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Basic Information
| ChEMBL ID | CHEMBL205877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOXJOSBWMOJKHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
550.0
MW (Da)
4.18
ALogP
10
HBA
2
HBD
123.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 80.0 | nM | 7.1 | Antiproliferative activity against MCF7 cell line | 16337122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16337122 | 10.1016/j.bmcl.2005.11.053 | Aurora kinase A | 1 |
| 16337122 | 10.1016/j.bmcl.2005.11.053 | MCF7 | 1 |
| 16884290 | 10.1021/jm060522a | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine