Compound Detail
CHEMBL14619
SQ-67563 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL14619 |
| Name | SQ-67563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DARUYCQCOQATNX-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.37
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 6.96 | 6.96 | 110.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.82 | 6.82 | 150.0 | 2 |
| A2780 CHEMBL614004 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 110.0 | nM | 6.96 | Inhibitory activity against Cyclin-dependent kinase 2-cyclin E | 12824044 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 110.0 | nM | 6.96 | In vitro inhibition of human CDK2/cyclin E. | 12643928 |
| Cyclin-dependent kinase 2 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of CDK2 | 18625560 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Cyclin-dependent kinase 1-cyclin B | 12824044 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 150.0 | nM | 6.82 | Inhibitory concentration against CDK1/cyclin B was determined | 12643928 |
| A2780 | IC50 | = | 5800.0 | nM | 5.24 | Cytotoxic effect in ovarian cancer cell line (A2780) | 12643928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12824044 | 10.1016/s0960-894x(03)00381-0 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 12824044 | 10.1016/s0960-894x(03)00381-0 | Cyclin-dependent kinase 2/cyclin E | 1 |
| 12824044 | 10.1016/s0960-894x(03)00381-0 | Cyclin-dependent kinase 4/cyclin D | 1 |
| 12643928 | 10.1016/s0960-894x(03)00034-9 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 12643928 | 10.1016/s0960-894x(03)00034-9 | Cyclin-dependent kinase 2/cyclin E | 1 |
| 12643928 | 10.1016/s0960-894x(03)00034-9 | Cyclin-dependent kinase 4/cyclin D | 1 |
| 12643928 | 10.1016/s0960-894x(03)00034-9 | A2780 | 1 |
| 18625560 | 10.1016/j.bmc.2008.06.042 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine