Compound Detail
CHEMBL4284941
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 | CHEMBL4284941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMHNZVWSMBCPMT-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
5.81
ALogP
6
HBA
2
HBD
75.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 8.4 | 8.385 | 4.0 | 2 |
| CDK1/Cyclin A CHEMBL3038467 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| CDK2/Cyclin-E2 CHEMBL4523633 | IC50 | 7.57 | 7.57 | 26.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CDK4/Cyclin-D1 (unknown origin) using histone-H1 as substrate afte... | 29247857 |
| CDK6/cyclin D3 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CDK6/Cyclin-D3 (unknown origin) using histoneH1 as substrate after... | 29247857 |
| CDK6/cyclin D3 | IC50 | = | 4.31 | nM | 8.37 | Kinase Inhibitory Activity Assay: 1.2.2 Preparation of kinase solution: Kina... | - |
| CDK1/Cyclin A | IC50 | = | 27.0 | nM | 7.57 | Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate afte... | 29247857 |
| CDK2/Cyclin-E2 | IC50 | = | 26.9 | nM | 7.57 | Kinase Inhibitory Activity Assay: 1.2.2 Preparation of kinase solution: Kina... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29247857 | 10.1016/j.ejmech.2017.12.003 | Unchecked | 1 |
| 29247857 | 10.1016/j.ejmech.2017.12.003 | CDK1/Cyclin A | 1 |
| 29247857 | 10.1016/j.ejmech.2017.12.003 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 29247857 | 10.1016/j.ejmech.2017.12.003 | CDK6/cyclin D3 | 1 |
Data from ChEMBL 36 via Core Engine