Compound Detail
CHEMBL4579344
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Basic Information
| ChEMBL ID | CHEMBL4579344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFRMQZGBTCACGO-LSDHHAIUSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.21
ALogP
8
HBA
3
HBD
100.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 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 4 CHEMBL331 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Cyclin-dependent kinase 3 CHEMBL4442 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.71 | 6.71 | 193.0 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 6.63 | 6.63 | 232.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.24 | 6.24 | 578.0 | 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) | 30543440 |
| Cyclin-dependent kinase 4 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of CDK4 (unknown origin) | 30543440 |
| Cyclin-dependent kinase 9 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of CDK9 (unknown origin) | 30543440 |
| Cyclin-dependent kinase 3 | IC50 | = | 29.0 | nM | 7.54 | Inhibition of CDK3 (unknown origin) | 30543440 |
| Cyclin-dependent kinase 7 | IC50 | = | 193.0 | nM | 6.71 | Inhibition of CDK7 (unknown origin) | 30543440 |
| Cyclin-dependent kinase 5 | IC50 | = | 232.0 | nM | 6.63 | Inhibition of CDK5 (unknown origin) | 30543440 |
| Cyclin-dependent kinase 1 | IC50 | = | 578.0 | nM | 6.24 | Inhibition of CDK1 (unknown origin) | 30543440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30543440 | 10.1021/acs.jmedchem.8b01469 | Cyclin-dependent kinase 5 | 1 |
| 30543440 | 10.1021/acs.jmedchem.8b01469 | Cyclin-dependent kinase 2 | 1 |
| 30543440 | 10.1021/acs.jmedchem.8b01469 | Cyclin-dependent kinase 4 | 1 |
| 30543440 | 10.1021/acs.jmedchem.8b01469 | Cyclin-dependent kinase 3 | 1 |
| 30543440 | 10.1021/acs.jmedchem.8b01469 | Cyclin-dependent kinase 9 | 1 |
| 30543440 | 10.1021/acs.jmedchem.8b01469 | Cyclin-dependent kinase 1 | 1 |
| 30543440 | 10.1021/acs.jmedchem.8b01469 | Cyclin-dependent kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine