Compound Detail
CHEMBL360250
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 | CHEMBL360250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWIAAIZWNCNGQO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
3.11
ALogP
7
HBA
2
HBD
96.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.72 | 6.72 | 191.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 10.0 | nM | 8.0 | Inhibitory concentration against CDK4/ Cyclin D | 15993068 |
| Unchecked | IC50 | = | 191.0 | nM | 6.72 | Inhibitory concentration against CDK2/ Cyclin A | 15993068 |
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 800.0 | nM | 6.1 | Inhibitory concentration against CDK1/ Cyclin B | 15993068 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory concentration against CDK2/ Cyclin E | 15993068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Unchecked | 1 |
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
Data from ChEMBL 36 via Core Engine