Compound Detail
CHEMBL5897984
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C[C@H]4CNCCO4)C5)ncc3F)cc2n1C(C)C
Basic Information
| ChEMBL ID | CHEMBL5897984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUXKEKPYASIYGT-HXUWFJFHSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
4.15
ALogP
9
HBA
2
HBD
93.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.99 | 8.99 | 1.0 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.83 | 8.83 | 1.5 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.84 | 7.84 | 14.3 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.68 | 7.68 | 20.8 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 7.07 | 7.07 | 85.8 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.96 | 6.96 | 109.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.68 | 6.68 | 208.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 1.02 | nM | 8.99 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 1.48 | nM | 8.83 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 14.3 | nM | 7.84 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 20.8 | nM | 7.68 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 5 | IC50 | = | 85.8 | nM | 7.07 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 7 | IC50 | = | 109.0 | nM | 6.96 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 1 | IC50 | = | 208.0 | nM | 6.68 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine