Compound Detail
CHEMBL4632948
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Basic Information
| ChEMBL ID | CHEMBL4632948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPRYKZQCTXZUKH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
4.33
ALogP
8
HBA
2
HBD
94.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 6.8 | 6.695 | 160.0 | 2 |
| Serine/threonine-protein kinase DCLK1 CHEMBL5683 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| Mitogen-activated protein kinase 7 CHEMBL5332 | IC50 | 5.82 | 5.82 | 1530.0 | 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 | = | 160.0 | nM | 6.8 | Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 r... | 32530623 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 256.0 | nM | 6.59 | Inhibition of LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate i... | 24239623 |
| Serine/threonine-protein kinase DCLK1 | IC50 | = | 510.0 | nM | 6.29 | Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 resid... | 32530623 |
| Mitogen-activated protein kinase 7 | IC50 | = | 1530.0 | nM | 5.82 | Inhibition of N-terminal 6His-tagged human ERK5 expressed in baculovirus infecte... | 24239623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24239623 | 10.1016/j.ejmech.2013.10.052 | Mitogen-activated protein kinase 7 | 2 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Serine/threonine-protein kinase DCLK1 | 1 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Mitogen-activated protein kinase 7 | 1 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
| 24239623 | 10.1016/j.ejmech.2013.10.052 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine