Compound Detail
CHEMBL6064669
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CCN1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1
Basic Information
| ChEMBL ID | CHEMBL6064669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKUJQCDZMJSNMC-UHFFFAOYSA-N |
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
5.79
ALogP
7
HBA
1
HBD
71.8
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 10.1 | 9.935 | 0.1 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.71 | 8.665 | 1.9 | 2 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 7.42 | 7.165 | 38.3 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.94 | 6.93 | 114.0 | 2 |
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine