Compound Detail
CHEMBL361573
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Basic Information
| ChEMBL ID | CHEMBL361573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALIOQXGVNHUSRG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.2
MW (Da)
5.12
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 4.54 | 4.54 | 28700.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 4.15 | 4.15 | 70700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory concentration tested against Cyclin dependant kinase 2-cyclinE | 15664865 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 28700.0 | nM | 4.54 | Inhibitory concentration tested against Cyclin dependant kinase 4-cyclinD1 | 15664865 |
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 70700.0 | nM | 4.15 | Inhibitory concentration tested against Cyclin dependant kinase 1-cyclinB | 15664865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664865 | 10.1016/j.bmcl.2004.10.091 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 15664865 | 10.1016/j.bmcl.2004.10.091 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 15664865 | 10.1016/j.bmcl.2004.10.091 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 15664865 | 10.1016/j.bmcl.2004.10.091 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
Data from ChEMBL 36 via Core Engine