Compound Detail
CHEMBL5092458
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Basic Information
| ChEMBL ID | CHEMBL5092458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHZVOLCSHYXGJQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
2.03
ALogP
6
HBA
2
HBD
92.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.61
IC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | Ki | 6.61 | 6.49 | 243.0 | 2 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 5.45 | 5.45 | 3532.0 | 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 | Ki | = | 243.0 | nM | 6.61 | Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for... | 34184879 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | Ki | = | 423.0 | nM | 6.37 | Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthasc... | 34184879 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 3532.0 | nM | 5.45 | Inhibition of recombinant human GST tagged truncated LRRK2 G2019S mutant using f... | 34184879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34184879 | 10.1021/acs.jmedchem.1c00720 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
Data from ChEMBL 36 via Core Engine