Compound Detail
CHEMBL5563573
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Basic Information
| ChEMBL ID | CHEMBL5563573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYKKXAMILDNUNO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.3
MW (Da)
3.06
ALogP
3
HBA
4
HBD
86.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of CDK9/cyclin T1 (unknown origin) | 38564299 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of CDK5/p25 (unknown origin) | 38564299 |
| Unchecked | IC50 | = | 47.0 | nM | 7.33 | Inhibition of CDK2/CYCA (unknown origin) | 38564299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38564299 | 10.1021/acs.jmedchem.4c00312 | CDK9/cyclin T1 | 1 |
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Unchecked | 1 |
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Cyclin-dependent kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine