Compound Detail
CHEMBL5423100
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Basic Information
| ChEMBL ID | CHEMBL5423100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGBKFTCNMNOIPZ-STQMWFEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.70
ALogP
6
HBA
2
HBD
77.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of human CDK9/Cyclin T1 preincubated for 20 mins followed by 32P-ATP ... | 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