Compound Detail
CHEMBL5290495
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Basic Information
| ChEMBL ID | CHEMBL5290495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQDJFAVYWQSXJI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.9
MW (Da)
3.95
ALogP
8
HBA
4
HBD
108.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/Cyclin T CHEMBL5291961 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/Cyclin T | IC50 | = | 7.0 | nM | 8.15 | Inhibition of CDK9/Cyclin T (unknown origin) using (YSPTSPS)3 peptide as substra... | 26907156 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 20.0 | nM | 7.7 | Inhibition of CDK2/Cyclin E (unknown origin) using histone as substrate incubate... | 26907156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26907156 | 10.1016/j.ejmech.2016.02.018 | CDK9/Cyclin T | 1 |
| 26907156 | 10.1016/j.ejmech.2016.02.018 | Cyclin-dependent kinase 2/cyclin E | 1 |
Data from ChEMBL 36 via Core Engine