Compound Detail
CHEMBL112896
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Basic Information
| ChEMBL ID | CHEMBL112896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVPCTHKPOPQMSX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.9
MW (Da)
3.48
ALogP
8
HBA
1
HBD
97.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.72 | 4.72 | 19054.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 19054.61 | nM | 4.72 | Antiproliferative activity evaluated against MCF-7 cell line | 14741278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698151 | 10.1016/j.bmcl.2003.11.011 | Heat shock protein HSP90 | 1 |
| 14741278 | 10.1016/j.bmcl.2003.11.024 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine