Compound Detail
CHEMBL4467571
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Basic Information
| ChEMBL ID | CHEMBL4467571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTBXQYCZMOAADV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
2.63
ALogP
5
HBA
3
HBD
119.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase VRK2 CHEMBL1649059 | Kd | 6.4 | 6.4 | 401.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase VRK2 | Kd | = | 401.0 | nM | 6.4 | Binding affinity to recombinant N-terminal His-tagged VRK2 kinase domain (unknow... | 31531195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31531195 | 10.1021/acsmedchemlett.9b00082 | Serine/threonine-protein kinase VRK1 | 2 |
| 31531195 | 10.1021/acsmedchemlett.9b00082 | Serine/threonine-protein kinase VRK2 | 2 |
| 31531195 | 10.1021/acsmedchemlett.9b00082 | HeLa | 2 |
Data from ChEMBL 36 via Core Engine