Compound Detail
CHEMBL5797283
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NS(=O)(=O)c1ccc(Nc2ncc3cc4n(c3n2)C2(CCCCC2)C(=O)N[C@H]4CF)cc1
Basic Information
| ChEMBL ID | CHEMBL5797283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKAJEPVSQITQLJ-INIZCTEOSA-N |
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
2.62
ALogP
7
HBA
3
HBD
132.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Cyclin-dependent kinase 5 activator 1 CHEMBL2783 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| CDK3/Cyclin E CHEMBL3038471 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine