Compound Detail
CHEMBL4065525
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Basic Information
| ChEMBL ID | CHEMBL4065525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJDKAQTXEXFQQG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
2.49
ALogP
6
HBA
1
HBD
91.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 8.57 | 7.8333 | 2.7 | 3 |
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 | = | 2.7 | nM | 8.57 | Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) G2019S m... | 28245354 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) G2019S m... | 28245354 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 83.0 | nM | 7.08 | Inhibition LRRK2 G2019S mutant Ser935 phosphorylation in human SH-SY5Y cells aft... | 28245354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28245354 | 10.1021/acs.jmedchem.7b00045 | ADMET | 5 |
| 28245354 | 10.1021/acs.jmedchem.7b00045 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
Data from ChEMBL 36 via Core Engine