Compound Detail
CHEMBL4764173
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Basic Information
| ChEMBL ID | CHEMBL4764173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVIBDXQYFNZNMA-ZBFHGGJFSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.59
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.71 | 6.71 | 193.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of CDK2 (unknown origin) | 32866383 |
| Cyclin-dependent kinase 5 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of CDK5 (unknown origin) | 32866383 |
| Cyclin-dependent kinase 9 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of CDK9 (unknown origin) | 32866383 |
| Cyclin-dependent kinase 7 | IC50 | = | 193.0 | nM | 6.71 | Inhibition of CDK7 (unknown origin) | 32866383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 2 | 1 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 5 | 1 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 7 | 1 |
| 32866383 | 10.1021/acs.jmedchem.0c00744 | Cyclin-dependent kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine