Compound Detail
CHEMBL5816600
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CC(C)(C)n1cnc2c(F)cc(-c3nc(N[C@@H]4CCN(S(C)(=O)=O)C[C@H]4O)ncc3F)cc21
Basic Information
| ChEMBL ID | CHEMBL5816600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNXGVCDZYJFVME-NVXWUHKLSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
2.33
ALogP
8
HBA
2
HBD
113.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK6/cyclin D3 CHEMBL2111448 | Ki | 9.0 | 9.0 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK6/cyclin D3 | Ki | = | 1.0 | nM | 9.0 | Biological Assay: CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to ... | - |
| CDK6/cyclin D3 | Ki | = | 1.0 | nM | 9.0 | Mobility Shift Assay: The purpose of the CDK6/Cyclin D3 assay is to evaluate the... | - |
Data from ChEMBL 36 via Core Engine