Compound Detail
CHEMBL5177202
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCC1C(C(=O)Nc2cc3cc(N4CCN(C5(C)COCC5F)CC4)c(C)cc3cn2)C1c1cnn(C)c1
Basic Information
| ChEMBL ID | CHEMBL5177202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXPMWFVVJZPJBY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
3.90
ALogP
7
HBA
1
HBD
75.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
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 GST-tagged truncated human LRRK2 G2019S mutant using fluorescein-l... | 35928851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35928851 | 10.1021/acsmedchemlett.2c00263 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine