Compound Detail
CHEMBL102926
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Basic Information
| ChEMBL ID | CHEMBL102926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCPXSBULBDYRLT-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.14
ALogP
8
HBA
2
HBD
87.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 9.0 | 8.1667 | 1.0 | 3 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 7.49 | 7.49 | 32.4 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of CDK2 | 16584130 |
| Cyclin-dependent kinase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of CDK1 | 16584130 |
| Cyclin-dependent kinase 2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Cyclin-dependent kinase 2 | 15857136 |
| Cyclin-dependent kinase 2 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of Cyclin-dependent kinase 2 | 12941325 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 32.36 | nM | 7.49 | Inhibition of CDK2/Cyclin E (unknown origin) | 26741853 |
| Cyclin-dependent kinase 4 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Cyclin-dependent kinase 4 | 12941325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941325 | 10.1016/s0960-894x(03)00638-3 | Cyclin-dependent kinase 4 | 1 |
| 12941325 | 10.1016/s0960-894x(03)00638-3 | Cyclin-dependent kinase 2 | 1 |
| 15857136 | 10.1021/jm049066l | Cyclin-dependent kinase 2 | 1 |
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 2 | 1 |
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 1 | 1 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
Data from ChEMBL 36 via Core Engine