Compound Detail
CHEMBL5776705
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NS(=O)(=O)c1ccc(Nc2ncc3cc4n(c3n2)C2(CCCCC2)C(=O)N[C@@H]4CF)cc1
Basic Information
| ChEMBL ID | CHEMBL5776705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKAJEPVSQITQLJ-MRXNPFEDSA-N |
9
Targets
9
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 9 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| CDK3/Cyclin E CHEMBL3038471 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Cyclin-dependent kinase 5 activator 1 CHEMBL2783 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.17 | 6.17 | 682.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine