Compound Detail
CHEMBL5570843
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Basic Information
| ChEMBL ID | CHEMBL5570843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODDISVVZPVDGCA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.30
ALogP
5
HBA
2
HBD
49.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 6.24 | 6.24 | 574.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.92 | 5.92 | 1205.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of CDK9 (unknown origin) | 38564299 |
| Cyclin-dependent kinase 5 | IC50 | = | 574.0 | nM | 6.24 | Inhibition of CDK5 (unknown origin) | 38564299 |
| Cyclin-dependent kinase 2 | IC50 | = | 1205.0 | nM | 5.92 | Inhibition of CDK2 (unknown origin) | 38564299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Cyclin-dependent kinase 2 | 1 |
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Cyclin-dependent kinase 9 | 1 |
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Cyclin-dependent kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine