Compound Detail
CHEMBL4635295
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Basic Information
| ChEMBL ID | CHEMBL4635295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYUVXKWNICUICM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
495.0
MW (Da)
5.98
ALogP
7
HBA
2
HBD
82.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 6.94 | 6.94 | 116.0 | 1 |
| CDK9/Cyclin K CHEMBL3038475 | IC50 | 6.75 | 6.75 | 176.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 6.72 | 6.72 | 192.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK6/cyclin D3 | IC50 | = | 116.0 | nM | 6.94 | Inhibition of recombinant human full-length N-terminal His-tagged CDK6/cyclinD3 ... | 32129996 |
| CDK9/Cyclin K | IC50 | = | 176.0 | nM | 6.75 | Inhibition of recombinant human full-length N-terminal GST-tagged CDK9/cyclinK e... | 32129996 |
| CDK2/Cyclin A2 | IC50 | = | 192.0 | nM | 6.72 | Inhibition of recombinant human full-length N-terminal GST-tagged CDK2/cyclinA2 ... | 32129996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32129996 | 10.1021/acs.jmedchem.9b02121 | CDK6/cyclin D3 | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | CDK9/Cyclin K | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | CDK2/Cyclin A2 | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | MDA-MB-231 | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | Jurkat | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | MCF7 | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | L02 | 1 |
Data from ChEMBL 36 via Core Engine