Compound Detail
CHEMBL5437823
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Basic Information
| ChEMBL ID | CHEMBL5437823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALFZBAFPSSHPKA-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.73
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
IC50 2 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 7.67 | 7.295 | 21.6 | 2 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | EC50 | 6.7 | 6.41 | 200.0 | 2 |
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 | = | 21.6 | nM | 7.67 | Inhibition of LRRK2 G2019S mutant (unknown origin) | 36049274 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 119.0 | nM | 6.92 | Inhibition of wildtype full length LRRK2 (unknown origin) | 36049274 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | EC50 | = | 200.0 | nM | 6.7 | Inhibition of LRRK2 G2019S mutant in HEK293 cells | 36049274 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | EC50 | = | 750.0 | nM | 6.12 | Inhibition of wildtype full length LRRK2 in HEK293 cells | 36049274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36049274 | 10.1016/j.ejmech.2022.114693 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| 36049274 | 10.1016/j.ejmech.2022.114693 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine