Compound Detail
CHEMBL5961586
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CS(=O)(=O)N1CCC(Nc2ncc3cc(C(F)F)c(=O)n([C@H]4CC[C@H](O)C4)c3n2)CC1
Basic Information
| ChEMBL ID | CHEMBL5961586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTYYZCOGKANMJB-KBPBESRZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
1.65
ALogP
8
HBA
2
HBD
117.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK6/cyclin D1 CHEMBL2111455 | Ki | 9.28 | 9.155 | 0.5 | 2 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 8.9 | 8.76 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK6/cyclin D1 | Ki | = | 0.53 | nM | 9.28 | CDK6/Cyclin D1 Mobility Shift Assay: The purpose of the CDK6/Cyclin D1 assay is ... | - |
| CDK6/cyclin D1 | Ki | = | 0.94 | nM | 9.03 | CDK6/Cyclin D1 Mobility Shift Assay: The purpose of the CDK6/Cyclin D1 assay is ... | - |
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 1.25 | nM | 8.9 | CDK2/Cyclin E1 Mobility Shift Assay : The purpose of the CDK2/Cyclin E1 assay is... | - |
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 2.37 | nM | 8.62 | CDK2/Cyclin E1 Mobility Shift Assay: The mobility shift assay electrophoreticall... | - |
Data from ChEMBL 36 via Core Engine