Compound Detail
CHEMBL6002674
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CNCCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)(C)C)c5c4)n3)ccc2C1
Basic Information
| ChEMBL ID | CHEMBL6002674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCAQSQYHTSCOCV-UHFFFAOYSA-N |
7
Targets
14
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
4.55
ALogP
8
HBA
2
HBD
83.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.83 | 8.83 | 1.5 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.82 | 8.82 | 1.5 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.18 | 8.18 | 6.7 | 2 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 8.08 | 8.08 | 8.4 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.98 | 7.98 | 10.5 | 2 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.87 | 6.87 | 135.0 | 2 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.83 | 6.83 | 149.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine