Compound Detail
CHEMBL425181
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL425181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPRAIFVPXXVXDL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
465.7
MW (Da)
4.63
ALogP
6
HBA
3
HBD
104.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Cyclin-dependent kinase 2-cyclin E | 15537345 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of Cyclin-dependent kinase 4-cyclin D1 | 15537345 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 240.0 | nM | 6.62 | Inhibition of Cyclin-dependent kinase 1-cyclin B | 15537345 |
| HCT-116 | IC50 | = | 720.0 | nM | 6.14 | Inhibition of human colon carcinoma cell (HCT116) proliferation | 15537345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537345 | 10.1021/jm020455u | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 15537345 | 10.1021/jm020455u | Cyclin-dependent kinase 2/cyclin E | 1 |
| 15537345 | 10.1021/jm020455u | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15537345 | 10.1021/jm020455u | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine