Compound Detail
CHEMBL5277074
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Basic Information
| ChEMBL ID | CHEMBL5277074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQVJGFKTRSGJHB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
1.92
ALogP
7
HBA
2
HBD
115.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | Ki | 7.04 | 7.04 | 92.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | Ki | 6.75 | 6.75 | 176.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | Ki | 6.52 | 6.52 | 301.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B | Ki | = | 5.0 | nM | 8.3 | Inhibition of CDK1/Cyclin B (unknown origin) assessed as inhibition constant inc... | 36706608 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | Ki | = | 92.0 | nM | 7.04 | Inhibition of CDK5/p25 (unknown origin) assessed as inhibition constant incubate... | 36706608 |
| Cyclin-dependent kinase 2/cyclin E | Ki | = | 176.0 | nM | 6.75 | Inhibition of CDK2/cyclin E (unknown origin) assessed as inhibition constant inc... | 36706608 |
| CDK9/cyclin T1 | Ki | = | 301.0 | nM | 6.52 | Inhibition of CDK9/cyclin T1 (unknown origin) assessed as inhibition constant in... | 36706608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36706608 | 10.1016/j.bmc.2023.117158 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 36706608 | 10.1016/j.bmc.2023.117158 | Cyclin-dependent kinase 2/cyclin E | 1 |
| 36706608 | 10.1016/j.bmc.2023.117158 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 36706608 | 10.1016/j.bmc.2023.117158 | CDK9/cyclin T1 | 1 |
| 36706608 | 10.1016/j.bmc.2023.117158 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine