Compound Detail
CHEMBL1989043
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Basic Information
| ChEMBL ID | CHEMBL1989043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDMKHRICOLBXIP-UHFFFAOYSA-N |
16
Targets
20
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
4.76
ALogP
7
HBA
2
HBD
74.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 7.7
IC50 7 meas. best 8.4
Kd 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK6/cyclin D1 CHEMBL2111455 | IC50 | 8.4 | 8.1 | 4.0 | 2 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.15 | 8.055 | 7.0 | 2 |
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| Cyclin-dependent kinase 11A CHEMBL5416 | Kd | 7.48 | 7.48 | 33.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.36 | 6.615 | 44.0 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Cyclin-dependent kinase 11A CHEMBL5416 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Serine/threonine-protein kinase TAO1 CHEMBL5261 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Protein kinase C theta type CHEMBL3920 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Leukocyte tyrosine kinase receptor CHEMBL5627 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| LIM domain kinase 1 CHEMBL3836 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35597007 | 10.1016/j.ejmech.2022.114433 | Cyclin-dependent kinase 11A | 3 |
| 35597007 | 10.1016/j.ejmech.2022.114433 | Cyclin-dependent kinase 4/cyclin D1 | 2 |
| 35597007 | 10.1016/j.ejmech.2022.114433 | CDK6/cyclin D1 | 2 |
| 35597007 | 10.1016/j.ejmech.2022.114433 | CDK9/cyclin T1 | 2 |
| 35597007 | 10.1016/j.ejmech.2022.114433 | Cyclin-dependent kinase 11B | 1 |
Data from ChEMBL 36 via Core Engine