Compound Detail
CHEMBL5845618
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C[C@@H]1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc12
Basic Information
| ChEMBL ID | CHEMBL5845618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJKDYTFNXUBLEQ-ZDUSSCGKSA-N |
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
2.67
ALogP
7
HBA
3
HBD
132.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| CDK3/Cyclin E CHEMBL3038471 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Cyclin-dependent kinase 5 activator 1 CHEMBL2783 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine