Compound Detail
CHEMBL3979676
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
Basic Information
| ChEMBL ID | CHEMBL3979676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZDGQQQSEKEUFO-UHFFFAOYSA-N |
1
Targets
8
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
3.11
ALogP
3
HBA
1
HBD
61.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.7
EC50 2 meas. best 6.7
Ki 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | Ki | 8.22 | 7.92 | 6.0 | 2 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | EC50 | 6.7 | 6.655 | 201.0 | 2 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 6.7 | 6.5925 | 201.0 | 4 |
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