Compound Detail
CHEMBL2425901
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Basic Information
| ChEMBL ID | CHEMBL2425901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZQACKGQYMBNFT-HNENSFHCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
1.27
ALogP
7
HBA
3
HBD
168.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 4.27 | 4.27 | 53300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Cyclin A2 | IC50 | = | 53300.0 | nM | 4.27 | Inhibition of CDK2/Cyclin A (unknown origin) | 23994326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23994326 | 10.1016/j.ejmech.2013.07.031 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 23994326 | 10.1016/j.ejmech.2013.07.031 | CDK9/cyclin T1 | 1 |
| 23994326 | 10.1016/j.ejmech.2013.07.031 | Cyclin-dependent kinase 7/ cyclin H | 1 |
| 23994326 | 10.1016/j.ejmech.2013.07.031 | Unchecked | 1 |
| 23994326 | 10.1016/j.ejmech.2013.07.031 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 23994326 | 10.1016/j.ejmech.2013.07.031 | CDK2/Cyclin A2 | 1 |
Data from ChEMBL 36 via Core Engine