Compound Detail
CHEMBL2397013
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Basic Information
| ChEMBL ID | CHEMBL2397013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUDPNBZMAJGYTE-HYMQDMCPSA-N |
| Parent Compound | CHEMBL323994 |
| Active Moiety | CHEMBL323994 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
3.57
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 7.66 | 7.66 | 22.0 | 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 | = | 22.0 | nM | 7.66 | Inhibition of human N-terminal GST-tagged LRRK2 after 1 hr by TR-FRET assay | 23721803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23721803 | 10.1016/j.bmcl.2013.04.086 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine