Compound Detail
CHEMBL5757213
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCCN(C)C)C5)ncc3F)cc2n1C1CC1
Basic Information
| ChEMBL ID | CHEMBL5757213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYDXFTMHNUETBY-UHFFFAOYSA-N |
7
Targets
14
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
4.86
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 8.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.78 | 8.78 | 1.7 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.26 | 8.26 | 5.5 | 2 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.71 | 6.71 | 196.0 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.5 | 6.5 | 316.0 | 2 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 6.21 | 6.21 | 620.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.83 | 5.83 | 1490.0 | 2 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.44 | 5.44 | 3614.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine