Compound Detail
CHEMBL4060616
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4060616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQAJHQBDIDWDGZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
177.6
MW (Da)
2.09
ALogP
2
HBA
1
HBD
52.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.42
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | Ki | 5.66 | 5.66 | 2193.0 | 1 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 4.42 | 4.42 | 37765.0 | 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 | = | 2193.0 | nM | 5.66 | Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 resi... | 29023112 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 37765.0 | nM | 4.42 | Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 resi... | 29023112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29023112 | 10.1021/acs.jmedchem.7b01186 | Leucine-rich repeat serine/threonine-protein kinase 2 | 3 |
Data from ChEMBL 36 via Core Engine