Compound Detail
CHEMBL5945627
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CN1CCN(C(=O)c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)C(=O)NC5O)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5945627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VASFNXBXECJRSY-UHFFFAOYSA-N |
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
2.34
ALogP
8
HBA
3
HBD
115.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Cyclin-dependent kinase 5 activator 1 CHEMBL2783 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| CDK3/Cyclin E CHEMBL3038471 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.21 | 6.21 | 615.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine