Compound Detail
CHEMBL5912095
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Basic Information
| ChEMBL ID | CHEMBL5912095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWNQBDLDJQVAMQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.19
ALogP
7
HBA
2
HBD
101.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 7.87 | 7.445 | 13.6 | 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 | = | 13.6 | nM | 7.87 | Enzyme Assay: Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-L... | - |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 95.7 | nM | 7.02 | Enzyme Assay: Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-L... | - |
Data from ChEMBL 36 via Core Engine