Compound Detail
CHEMBL476189
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Basic Information
| ChEMBL ID | CHEMBL476189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYVABZIGRDEKCD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
1.73
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | Kd | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | Kd | = | 35000.0 | nM | 4.46 | Binding affinity to human CDK2 by isothermal titration calorimetric analysis | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19232496 | 10.1016/j.bmc.2009.01.041 | Cytokinin dehydrogenase 1 | 3 |
| - | 10.1039/C5MD00116A | Cyclin-dependent kinase 2 | 2 |
| 26854380 | 10.1016/j.ejmech.2016.01.036 | Enterovirus A71 | 1 |
| 26854380 | 10.1016/j.ejmech.2016.01.036 | RD | 1 |
| 26854380 | 10.1016/j.ejmech.2016.01.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine