Compound Detail
CHEMBL5970937
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CNCC(=O)N1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C6CCC(C)CC6)c5c4)n3)ccc2C1
Basic Information
| ChEMBL ID | CHEMBL5970937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVNQRFZZFGTWIK-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
560.6
MW (Da)
5.07
ALogP
8
HBA
2
HBD
100.9
PSA (Ų)
0.34
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.68 | 8.68 | 2.1 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.59 | 8.59 | 2.6 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.05 | 7.05 | 89.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 2.07 | nM | 8.68 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 2.07 | nM | 8.68 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.56 | nM | 8.59 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.56 | nM | 8.59 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 89.7 | nM | 7.05 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 89.7 | nM | 7.05 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine