Compound Detail
CHEMBL5549880
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Basic Information
| ChEMBL ID | CHEMBL5549880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFMXIEZVCLVVQW-SECBINFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.79
ALogP
6
HBA
2
HBD
81.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase VRK1 CHEMBL1293199 | Ki | 7.18 | 7.18 | 66.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase VRK1 | Ki | = | 66.5 | nM | 7.18 | Inhibition of human VRK1 (3 to 364 residues) expressed in Escherichia coli BL21 ... | 38780468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38780468 | 10.1021/acs.jmedchem.3c02250 | Serine/threonine-protein kinase VRK1 | 1 |
Data from ChEMBL 36 via Core Engine