Compound Detail
CHEMBL4464950
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Basic Information
| ChEMBL ID | CHEMBL4464950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKRNKIGWLAVTLG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
2.20
ALogP
7
HBA
1
HBD
68.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK4/Cyclin D3 CHEMBL3038472 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| CDK1/Cyclin A CHEMBL3038467 | Ki | 5.28 | 5.28 | 5200.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK4/Cyclin D3 | Ki | = | 210.0 | nM | 6.68 | Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cycl... | 31307887 |
| CDK1/Cyclin A | Ki | = | 5200.0 | nM | 5.28 | Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed ... | 31307887 |
| CDK6/cyclin D3 | Ki | = | 7400.0 | nM | 5.13 | Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cycl... | 31307887 |
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 7500.0 | nM | 5.12 | Inhibition of human full length GST-tagged CDK2 (1 to 298(end) amino acids)/Cycl... | 31307887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31307887 | 10.1016/j.bmcl.2019.06.021 | Unchecked | 1 |
| 31307887 | 10.1016/j.bmcl.2019.06.021 | ADMET | 1 |
| 31307887 | 10.1016/j.bmcl.2019.06.021 | CDK4/Cyclin D3 | 1 |
| 31307887 | 10.1016/j.bmcl.2019.06.021 | CDK6/cyclin D3 | 1 |
| 31307887 | 10.1016/j.bmcl.2019.06.021 | CDK1/Cyclin A | 1 |
| 31307887 | 10.1016/j.bmcl.2019.06.021 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
Data from ChEMBL 36 via Core Engine