Compound Detail
CHEMBL281470
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Basic Information
| ChEMBL ID | CHEMBL281470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAFOQYHPJYVFTI-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.30
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 4.58 | 4.58 | 26000.0 | 2 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 4.35 | 4.35 | 45000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of Cyclin-dependent kinase 2-cyclin E | 11311054 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 26000.0 | nM | 4.58 | Compound was evaluated for inhibition of Cyclin-dependent kinase 2-cyclin E | 12431050 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of Cyclin Dependent Kinase 4 cyclin D1 | 11311054 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 45000.0 | nM | 4.35 | Compound was evaluated for 50% inhibition of Cyclin-dependent kinase 4-cyclin D1 | 12431050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11311054 | 10.1021/jm0100032 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 11311054 | 10.1021/jm0100032 | Cyclin-dependent kinase 2/cyclin E | 1 |
| 11311054 | 10.1021/jm0100032 | Unchecked | 1 |
| 11311054 | 10.1021/jm0100032 | Protein kinase C (PKC) | 1 |
| 11311054 | 10.1021/jm0100032 | Tyrosine-protein kinase ABL1 | 1 |
| 12431050 | 10.1021/jm020171+ | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 12431050 | 10.1021/jm020171+ | Cyclin-dependent kinase 2/cyclin E | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine