Compound Detail
CHEMBL5789426
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CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(S(=O)(=O)NCCN(C)C)cc4)ncc3F)cc21
Basic Information
| ChEMBL ID | CHEMBL5789426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKTNOVUFHDVNPA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
3.61
ALogP
8
HBA
2
HBD
99.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 2.0 | nM | 8.7 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| CDK2/Cyclin A2 | IC50 | = | 3.0 | nM | 8.52 | Z′-LYTE Assay: CDK5 (p25): IC50 values of compounds against CDK5 (p25) were dete... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 8.0 | nM | 8.1 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
Data from ChEMBL 36 via Core Engine