Compound Detail
CHEMBL4755256
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Basic Information
| ChEMBL ID | CHEMBL4755256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWKHYOGNLAAFGK-DZGCQCFKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
419.9
MW (Da)
4.18
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.61 | 5.61 | 2460.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 5.49 | 5.49 | 3250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | IC50 | = | 94.0 | nM | 7.03 | Inhibition of CDK1 (unknown origin) | 32866383 |
| Cyclin-dependent kinase 9 | IC50 | = | 96.0 | nM | 7.02 | Inhibition of CDK9 (unknown origin) assessed as reduction in RNA polymerase2 pho... | 32866383 |
| Cyclin-dependent kinase 2 | IC50 | = | 2460.0 | nM | 5.61 | Inhibition of CDK2 (unknown origin) | 32866383 |
| Cyclin-dependent kinase 4 | IC50 | = | 3250.0 | nM | 5.49 | Inhibition of CDK4 (unknown origin) | 32866383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 9 | 2 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 1 | 1 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 2 | 1 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 4 | 1 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine