Compound Detail
CHEMBL5883845
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)CN(C)C)C5)ncc3F)cc2n1C1CCC1
Basic Information
| ChEMBL ID | CHEMBL5883845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPCVCNZJVUSNOC-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
4.39
ALogP
8
HBA
1
HBD
92.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.09 | 7.09 | 80.4 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.53 | 6.53 | 294.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.45 | 6.45 | 357.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.74 | 5.74 | 1818.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 4.27 | nM | 8.37 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 7.5 | nM | 8.12 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 80.4 | nM | 7.09 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 294.0 | nM | 6.53 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 1 | IC50 | = | 357.0 | nM | 6.45 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 7 | IC50 | = | 1818.0 | nM | 5.74 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine