Compound Detail
CHEMBL5950749
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1cc(S(=O)(=O)N2CCC(Nc3ncc4ccc(=O)n([C@@H]5CCC[C@@]5(C)O)c4n3)CC2)cn1
Basic Information
| ChEMBL ID | CHEMBL5950749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPNPQTRGIAJGBJ-XMSQKQJNSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
1.27
ALogP
10
HBA
2
HBD
135.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 10.0 | 10.0 | 0.1 | 3 |
| CDK6/cyclin D1 CHEMBL2111455 | Ki | 8.92 | 8.92 | 1.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 0.1 | nM | 10.0 | CDK2/Cyclin E1 Mobility Shift Assay: The purpose of the CDK2/Cyclin E1 assay is ... | - |
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 0.1 | nM | 10.0 | CDK2/Cyclin E1 Mobility Shift Assay : The purpose of the CDK2/Cyclin E1 assay is... | - |
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 0.1 | nM | 10.0 | CDK2/Cyclin E1 Mobility Shift Assay: The mobility shift assay electrophoreticall... | - |
| CDK6/cyclin D1 | Ki | = | 1.21 | nM | 8.92 | CDK6/Cyclin D1 Mobility Shift Assay: The purpose of the CDK6/Cyclin D1 assay is ... | - |
| CDK6/cyclin D1 | Ki | = | 1.21 | nM | 8.92 | CDK6/Cyclin D1 Mobility Shift Assay: The purpose of the CDK6/Cyclin D1 assay is ... | - |
| CDK6/cyclin D1 | Ki | = | 1.21 | nM | 8.92 | CDK6/Cyclin D1 Mobility Shift Assay: The purpose of the CDK6/Cyclin D1 assay is ... | - |
Data from ChEMBL 36 via Core Engine