Compound Detail
CHEMBL5949131
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Basic Information
| ChEMBL ID | CHEMBL5949131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AREQVYHOGWNDNY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
3.42
ALogP
7
HBA
2
HBD
110.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 9.0 | nM | 8.05 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 77.0 | nM | 7.11 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
Data from ChEMBL 36 via Core Engine