Compound Detail
CHEMBL5283143
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Cn1ncc(C2CC2C(=O)Nc2cc3cc(C4CCN(C5(C)COCC5O)CC4)c(Cl)cc3cn2)n1
Basic Information
| ChEMBL ID | CHEMBL5283143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYPFFOWTHJJFHP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.0
MW (Da)
3.09
ALogP
8
HBA
2
HBD
105.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 10.09 | 10.09 | 0.1 | 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 | = | 0.08128 | nM | 10.09 | Inhibition of GST20-tagged truncated human LRRK2 G2019S mutant using fluorescein... | 37312864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37312864 | 10.1021/acsmedchemlett.3c00179 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine