Compound Detail
CHEMBL5171090
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Basic Information
| ChEMBL ID | CHEMBL5171090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZGKLZGDJGQVGI-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
5.39
ALogP
4
HBA
2
HBD
77.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
EC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 6.82 | 6.55 | 150.0 | 2 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | EC50 | 5.2 | 5.2 | 6300.0 | 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 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of full length LRRK2 G2019S mutant (unknown origin) by LRRKtide Adapt... | 34992038 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 527.0 | nM | 6.28 | Inhibition of full length wild type LRRK2 (unknown origin) by LRRKtide Adapta as... | 34992038 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | EC50 | = | 6300.0 | nM | 5.2 | Inhibition of pcDNA5FRT-TO-GFP fused - LRRK2 G2019S mutant (unknown origin) tran... | 34992038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34992038 | 10.1016/j.ejmech.2021.114080 | Leucine-rich repeat serine/threonine-protein kinase 2 | 5 |
| 34992038 | 10.1016/j.ejmech.2021.114080 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine