Compound Detail
CHEMBL4076248
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Basic Information
| ChEMBL ID | CHEMBL4076248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKQZKTOPUJYNJD-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
3.41
ALogP
2
HBA
1
HBD
52.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.58
Ki 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | Ki | 6.11 | 5.95 | 783.0 | 2 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 4.58 | 4.565 | 26163.0 | 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 | Ki | = | 783.0 | nM | 6.11 | Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues... | 29023112 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | Ki | = | 1617.0 | nM | 5.79 | Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 resi... | 29023112 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 26163.0 | nM | 4.58 | Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues... | 29023112 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 27838.0 | nM | 4.55 | 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 | 4 |
Data from ChEMBL 36 via Core Engine