Compound Detail
CHEMBL1964259
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Basic Information
| ChEMBL ID | CHEMBL1964259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYFFSHNCRZXJNQ-PTNGSMBKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
1.99
ALogP
8
HBA
4
HBD
129.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 9.27 | 8.595 | 0.5 | 2 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 9.27 | 8.595 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 0.54 | nM | 9.27 | Inhibitory activity against human cyclin-dependent kinase 2 (CDK2) | 11728181 |
| Cyclin-dependent kinase 1 | IC50 | = | 0.54 | nM | 9.27 | Inhibition of human CDK1 using Biotinaminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-... | 27543880 |
| Cyclin-dependent kinase 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibitory activity against human cyclin-dependent kinase 1 (CDK1) | 11728181 |
| Cyclin-dependent kinase 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human CDK2 g-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2 peptide as s... | 27543880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11728181 | 10.1021/jm010117d | Cyclin-dependent kinase 1 | 1 |
| 11728181 | 10.1021/jm010117d | Cyclin-dependent kinase 2 | 1 |
| 27543880 | 10.1016/j.ejmech.2016.08.011 | Cyclin-dependent kinase 1 | 1 |
| 27543880 | 10.1016/j.ejmech.2016.08.011 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine