Compound Detail
CHEMBL5816005
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN4CCOCC4)C5)ncc3F)cc2n1C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5816005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRROKWAZCDMWEU-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
4.66
ALogP
9
HBA
1
HBD
84.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.73 | 8.73 | 1.9 | 2 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.65 | 8.65 | 2.3 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.37 | 7.37 | 42.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 6 | IC50 | = | 1.87 | nM | 8.73 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 1.87 | nM | 8.73 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 2.26 | nM | 8.65 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 2.26 | nM | 8.65 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 42.8 | nM | 7.37 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 42.8 | nM | 7.37 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine