Compound Detail
CHEMBL4077186
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Basic Information
| ChEMBL ID | CHEMBL4077186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRQMDDJZRIRGLV-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
3.10
ALogP
2
HBA
1
HBD
52.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | Ki | 7.64 | 7.365 | 23.0 | 2 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 6.02 | 5.975 | 954.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
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