Compound Detail
CHEMBL5206036
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Basic Information
| ChEMBL ID | CHEMBL5206036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAMISSXBMOMOBN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.3
MW (Da)
4.17
ALogP
7
HBA
2
HBD
79.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 9.77 | 9.77 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 0.169 | nM | 9.77 | Inhibition of GST-tagged truncated human LRRK2 G2019S mutant using fluorescein l... | 35586430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35586430 | 10.1021/acsmedchemlett.2c00155 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine