Compound Detail
CHEMBL5876670
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CCC1COCc2nc3c(F)cc(-c4nc(N[C@@H]5CCN(S(C)(=O)=O)C[C@H]5O)ncc4F)cc3n21
Basic Information
| ChEMBL ID | CHEMBL5876670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKASIVWDIMHKPE-FMRBYIFOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
2.06
ALogP
9
HBA
2
HBD
122.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | Ki | 10.0 | 10.0 | 0.1 | 2 |
| CDK6/cyclin D3 CHEMBL2111448 | Ki | 9.4 | 9.4 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | Ki | = | 0.1 | nM | 10.0 | Biological Assay: CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluat... | - |
| Cyclin-dependent kinase 4/cyclin D1 | Ki | = | 0.1 | nM | 10.0 | Mobility Shift Assay : The purpose CDK4/Cyclin D1 assay is to evaluate the inhib... | - |
| CDK6/cyclin D3 | Ki | = | 0.4 | nM | 9.4 | Biological Assay: CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to ... | - |
| CDK6/cyclin D3 | Ki | = | 0.4 | nM | 9.4 | Mobility Shift Assay: The purpose of the CDK6/Cyclin D3 assay is to evaluate the... | - |
Data from ChEMBL 36 via Core Engine