Compound Detail
CHEMBL3335328
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Basic Information
| ChEMBL ID | CHEMBL3335328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USZFBHLYXCBKCZ-XCVCLJGOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
307.7
MW (Da)
3.82
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 6.58 | 6.58 | 261.0 | 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 | = | 261.0 | nM | 6.58 | Inhibition of recombinant LRRK2 (unknown origin) using gamma-32P-ATP assessed as... | 25219901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25219901 | 10.1016/j.bmcl.2014.08.049 | Leucine-rich repeat serine/threonine-protein kinase 2 | 3 |
Data from ChEMBL 36 via Core Engine