Compound Detail
CHEMBL5404281
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Basic Information
| ChEMBL ID | CHEMBL5404281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYVDPRMHXIYJBD-QGZVWANCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
2.73
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase pellino homolog 1 CHEMBL6066217 | Kd | 4.37 | 4.37 | 42300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase pellino homolog 1 | Kd | = | 42300.0 | nM | 4.37 | Binding affinity to PELI1 FHA domain (unknown origin) expressed in Escherichia c... | 38150964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36063665 | 10.1016/j.ejmech.2022.114706 | DNA topoisomerase 2-alpha | 2 |
| 38150964 | 10.1016/j.ejmech.2023.116060 | E3 ubiquitin-protein ligase pellino homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine