Compound Detail
CHEMBL4547439
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Basic Information
| ChEMBL ID | CHEMBL4547439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKSXKKAAUALXMD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
6.19
ALogP
6
HBA
1
HBD
59.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.85 | 9.795 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.1413 | nM | 9.85 | Antiproliferative activity against human MCF7:WS8 cells assessed as reduction in... | 31746603 |
| Unchecked | IC50 | = | 0.182 | nM | 9.74 | Antiproliferative activity against human MCF7:5C cells assessed as reduction in ... | 31746603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31746603 | 10.1021/acs.jmedchem.9b01580 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine