Compound Detail
CHEMBL5872006
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C[C@H]4CCCN4C)C5)ncc3F)cc2n1C1CC1
Basic Information
| ChEMBL ID | CHEMBL5872006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSMBDRWDECFDNR-OAQYLSRUSA-N |
7
Targets
14
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
5.01
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.38
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 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 | 8.5 | 8.5 | 3.1 | 2 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 7.43 | 7.43 | 37.0 | 2 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.98 | 6.98 | 104.0 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.67 | 6.67 | 212.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.5 | 6.5 | 317.0 | 2 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.04 | 6.04 | 912.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine