Compound Detail
CHEMBL3975772
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Basic Information
| ChEMBL ID | CHEMBL3975772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDGYKJMMIOPTCD-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.24
ALogP
4
HBA
1
HBD
64.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.11
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | EC50 | 7.11 | 6.66 | 78.0 | 2 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 7.11 | 6.66 | 78.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 | EC50 | = | 78.0 | nM | 7.11 | LanthaScreen Kinase Activity Assay: In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 ... | - |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 78.0 | nM | 7.11 | Homogeneous Time Resolved-fluorescence Resonance Energy Transfer (TR-FRET) Assay... | - |
| Leucine-rich repeat serine/threonine-protein kinase 2 | EC50 | = | 620.0 | nM | 6.21 | LanthaScreen Kinase Activity Assay: In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 ... | - |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 620.0 | nM | 6.21 | Homogeneous Time Resolved-fluorescence Resonance Energy Transfer (TR-FRET) Assay... | - |
Data from ChEMBL 36 via Core Engine