Compound Detail
CHEMBL5775091
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCS(C)(=O)=NC#N)C5)ncc3F)cc2n1C(C)C
Basic Information
| ChEMBL ID | CHEMBL5775091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEMNVVTZKGRLSX-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
565.6
MW (Da)
4.74
ALogP
10
HBA
1
HBD
125.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.76 | 8.76 | 1.7 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.75 | 8.75 | 1.8 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 7.84 | 7.84 | 14.6 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.82 | 7.82 | 15.3 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.63 | 7.63 | 23.6 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.79 | 6.79 | 161.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 1.74 | nM | 8.76 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 1.77 | nM | 8.75 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 5 | IC50 | = | 14.6 | nM | 7.84 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 15.3 | nM | 7.82 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 23.6 | nM | 7.63 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 1 | IC50 | = | 161.0 | nM | 6.79 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 7 | IC50 | = | 195.0 | nM | 6.71 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine