Compound Detail
CHEMBL321939
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NS(=O)(=O)c1ccc(Nc2cc(-c3cccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c3)[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL321939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSDHVIKBVVEOQN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
5.27
ALogP
5
HBA
5
HBD
142.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.21 | 7.21 | 61.6 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.1 | 6.1 | 794.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 61.6 | nM | 7.21 | In vitro inhibition of Cyclin-dependent kinase 2 was determined. | 12941317 |
| Cyclin-dependent kinase 1 | IC50 | = | 794.0 | nM | 6.1 | Inhibition of Cyclin-dependent kinase 1 | 12941317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941317 | 10.1016/s0960-894x(03)00630-9 | Cyclin-dependent kinase 1 | 1 |
| 12941317 | 10.1016/s0960-894x(03)00630-9 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine