Compound Detail
CHEMBL5413258
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5413258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZSKAGLXTOJPSO-WKILWMFISA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
3.91
ALogP
5
HBA
2
HBD
54.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| CDK2/Cyclin A1 CHEMBL3038470 | IC50 | 6.61 | 6.61 | 248.0 | 1 |
| CDK1/Cyclin A CHEMBL3038467 | IC50 | 5.79 | 5.79 | 1635.0 | 1 |
| CDK3/Cyclin E CHEMBL3038471 | IC50 | 5.7 | 5.7 | 1985.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 5.59 | 5.59 | 2585.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.29 | 5.29 | 5155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of human CDK9/Cyclin T1 preincubated for 20 mins followed by 32P-ATP ... | 37967851 |
| CDK2/Cyclin A1 | IC50 | = | 248.0 | nM | 6.61 | Inhibition of human CDK2/Cyclin A preincubated for 20 mins followed by 32P-ATP a... | 37967851 |
| CDK1/Cyclin A | IC50 | = | 1635.0 | nM | 5.79 | Inhibition of human CDK1/Cyclin A preincubated for 20 mins followed by 32P-ATP a... | 37967851 |
| CDK3/Cyclin E | IC50 | = | 1985.0 | nM | 5.7 | Inhibition of human CDK3/Cyclin E preincubated for 20 mins followed by 32P-ATP a... | 37967851 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 2585.0 | nM | 5.59 | Inhibition of human CDK4/Cyclin D1 preincubated for 20 mins followed by 32P-ATP ... | 37967851 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 5155.0 | nM | 5.29 | Inhibition of human CDK5/P25 preincubated for 20 mins followed by 32P-ATP additi... | 37967851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37967851 | 10.1021/acs.jmedchem.3c01233 | CDK9/cyclin T1 | 1 |
| 37967851 | 10.1021/acs.jmedchem.3c01233 | CDK1/Cyclin A | 1 |
| 37967851 | 10.1021/acs.jmedchem.3c01233 | CDK2/Cyclin A1 | 1 |
| 37967851 | 10.1021/acs.jmedchem.3c01233 | CDK3/Cyclin E | 1 |
| 37967851 | 10.1021/acs.jmedchem.3c01233 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 37967851 | 10.1021/acs.jmedchem.3c01233 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 37967851 | 10.1021/acs.jmedchem.3c01233 | CDK6/cyclin D1 | 1 |
| 37967851 | 10.1021/acs.jmedchem.3c01233 | Cyclin-dependent kinase 7/ cyclin H | 1 |
| 37967851 | 10.1021/acs.jmedchem.3c01233 | CDK8/Cyclin C | 1 |
Data from ChEMBL 36 via Core Engine