Compound Detail
CHEMBL5899507
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C[C@H]1COCc2nc3c(F)cc(-c4nc(Nc5ccc(N6CCN(C)CC6)cn5)ncc4F)cc3n21
Basic Information
| ChEMBL ID | CHEMBL5899507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBJNQQWSNUSMIU-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
3.75
ALogP
9
HBA
1
HBD
84.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Cyclin-dependent kinase 4/6 CHEMBL3885553 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK4/Cyclin D3 | IC50 | = | 1.8 | nM | 8.74 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
| Cyclin-dependent kinase 4/6 | IC50 | = | 23.0 | nM | 7.64 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
Data from ChEMBL 36 via Core Engine