Compound Detail
CHEMBL5280858
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Basic Information
| ChEMBL ID | CHEMBL5280858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYDCSNUDYUATTI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
3.26
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.95 | 5.95 | 1120.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 5.53 | 5.53 | 2950.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.33 | 5.33 | 4630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 1120.0 | nM | 5.95 | Antiproliferative activity against human MCF7 cells assessed reduction in cell p... | 32707525 |
| Histone deacetylase | IC50 | = | 2950.0 | nM | 5.53 | Inhibition of HDAC (unknown origin) | 32707525 |
| B16-F10 | IC50 | = | 3900.0 | nM | 5.41 | Antiproliferative activity against mouse B16-F10 cells assessed reduction in cel... | 32707525 |
| Cyclin-dependent kinase 2 | IC50 | = | 4630.0 | nM | 5.33 | Inhibition of CDK2 (unknown origin) | 32707525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32707525 | 10.1016/j.ejmech.2020.112571 | Cyclin-dependent kinase 2 | 1 |
| 32707525 | 10.1016/j.ejmech.2020.112571 | Histone deacetylase | 1 |
| 32707525 | 10.1016/j.ejmech.2020.112571 | MCF7 | 1 |
| 32707525 | 10.1016/j.ejmech.2020.112571 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine