Compound Detail
CHEMBL4638880
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Basic Information
| ChEMBL ID | CHEMBL4638880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXTSNXXVWGKOMB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
3.65
ALogP
8
HBA
1
HBD
77.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 6.3 | 6.3 | 501.0 | 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 | = | 501.0 | nM | 6.3 | Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 r... | 32530623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Mitogen-activated protein kinase 7 | 2 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Serine/threonine-protein kinase DCLK1 | 1 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine