Compound Detail
CHEMBL5286293
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Basic Information
| ChEMBL ID | CHEMBL5286293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJINXQDJHXTMEL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
0.85
ALogP
7
HBA
1
HBD
93.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | Ki | 7.0 | 7.0 | 99.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | Ki | = | 18.0 | nM | 7.75 | Inhibition of CDK2/cyclin E (unknown origin) assessed as inhibition constant inc... | 36706608 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | Ki | = | 36.0 | nM | 7.44 | Inhibition of CDK5/p25 (unknown origin) assessed as inhibition constant incubate... | 36706608 |
| Cyclin-dependent kinase 1/cyclin B | Ki | = | 99.0 | nM | 7.0 | Inhibition of CDK1/Cyclin B (unknown origin) assessed as inhibition constant inc... | 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