Compound Detail
CHEMBL4204860
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Basic Information
| ChEMBL ID | CHEMBL4204860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEBACALSVBNKRN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
4.32
ALogP
3
HBA
1
HBD
44.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 7.7 | 7.31 | 20.0 | 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 | = | 20.0 | nM | 7.7 | Inhibition of recombinant catalytic human GST-tagged LLRK2 (970 to 2527 residues... | 28688273 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of recombinant catalytic human GST-tagged LLRK2 G2019S mutant (970 to... | 28688273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28688273 | 10.1016/j.ejmech.2017.06.060 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| 28688273 | 10.1016/j.ejmech.2017.06.060 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine