Compound Detail
CHEMBL5763679
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)CN4CCOCC4)C5)ncc3F)cc2n1C(C)C
Basic Information
| ChEMBL ID | CHEMBL5763679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXKORJQOSCRLJP-UHFFFAOYSA-N |
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
4.02
ALogP
9
HBA
1
HBD
101.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.41 | 8.41 | 3.9 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.19 | 8.19 | 6.4 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.07 | 8.07 | 8.5 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.51 | 7.51 | 31.1 | 2 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.21 | 7.21 | 61.2 | 2 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.54 | 5.54 | 2893.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine