Compound Detail
CHEMBL5280632
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Basic Information
| ChEMBL ID | CHEMBL5280632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKYYTSZOQJZHGT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.09
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16-F10 CHEMBL612656 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 5.56 | 5.56 | 2760.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.53 | 5.53 | 2960.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16-F10 | IC50 | = | 2530.0 | nM | 5.6 | Antiproliferative activity against mouse B16-F10 cells assessed reduction in cel... | 32707525 |
| Histone deacetylase | IC50 | = | 2760.0 | nM | 5.56 | Inhibition of HDAC (unknown origin) | 32707525 |
| MCF7 | IC50 | = | 2960.0 | nM | 5.53 | Antiproliferative activity against human MCF7 cells assessed reduction in cell p... | 32707525 |
| Cyclin-dependent kinase 2 | IC50 | = | 3700.0 | nM | 5.43 | 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