Compound Detail
CHEMBL4209318
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 | CHEMBL4209318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNURQZGRRIHXKJ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.16
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 6.56 | 6.56 | 275.0 | 1 |
| Cyclin-dependent kinase 1/ G1/S-specific cyclin-D3 CHEMBL4296065 | IC50 | 5.53 | 5.53 | 2988.0 | 1 |
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 5.7 | nM | 8.24 | Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay | 29429832 |
| Cyclin-dependent kinase 6 | IC50 | = | 275.0 | nM | 6.56 | Inhibition of recombinant human full length CDK6 expressed in baculovirus infect... | 29429832 |
| Cyclin-dependent kinase 1/ G1/S-specific cyclin-D3 | IC50 | = | 2988.0 | nM | 5.53 | Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovi... | 29429832 |
| CDK4/Cyclin D3 | IC50 | = | 5700.0 | nM | 5.24 | Inhibition Assay: In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by comp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29429832 | 10.1016/j.bmcl.2017.12.068 | Cyclin-dependent kinase 1/ G1/S-specific cyclin-D3 | 1 |
| 29429832 | 10.1016/j.bmcl.2017.12.068 | Cyclin-dependent kinase 4 | 1 |
| 29429832 | 10.1016/j.bmcl.2017.12.068 | Cyclin-dependent kinase 6 | 1 |
Data from ChEMBL 36 via Core Engine