Compound Detail
CHEMBL5273925
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Basic Information
| ChEMBL ID | CHEMBL5273925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCBFHTQGXPIABP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.66
ALogP
7
HBA
2
HBD
80.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 6.76 | 6.76 | 173.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CDK9 (unknown origin) | 32707525 |
| Cyclin-dependent kinase 2 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of CDK2 (unknown origin) | 32707525 |
| Cyclin-dependent kinase 7 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of CDK7 (unknown origin) | 32707525 |
| MOLT-4 | IC50 | = | 173.0 | nM | 6.76 | Antiproliferative activity against human MOLT-4 cells assessed as inhibition of ... | 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 | Cyclin-dependent kinase 9 | 1 |
| 32707525 | 10.1016/j.ejmech.2020.112571 | Cyclin-dependent kinase 7 | 1 |
| 32707525 | 10.1016/j.ejmech.2020.112571 | Unchecked | 1 |
| 32707525 | 10.1016/j.ejmech.2020.112571 | Cyclin-dependent kinase 2 and 4 (CDK2 and CDK4) | 1 |
| 32707525 | 10.1016/j.ejmech.2020.112571 | MOLT-4 | 1 |
Data from ChEMBL 36 via Core Engine