Compound Detail
CHEMBL5686992
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Basic Information
| ChEMBL ID | CHEMBL5686992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJNDWYLNOREHCQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.56
ALogP
8
HBA
2
HBD
85.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
EC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mitogen-activated protein kinase 7 CHEMBL5332 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Mitogen-activated protein kinase 7 CHEMBL5332 | EC50 | 6.62 | 6.62 | 240.0 | 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 | = | 5.0 | nM | 8.3 | Inhibition of LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate i... | 24239623 |
| Mitogen-activated protein kinase 7 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of N-terminal 6His-tagged human ERK5 expressed in baculovirus infecte... | 24239623 |
| Mitogen-activated protein kinase 7 | EC50 | = | 240.0 | nM | 6.62 | Inhibition of EGF-stimulated ERK5 autophosphorylation in human HeLa cells preinc... | 24239623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24239623 | 10.1016/j.ejmech.2013.10.052 | Mitogen-activated protein kinase 7 | 2 |
| 24239623 | 10.1016/j.ejmech.2013.10.052 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine