Compound Detail
CHEMBL4645267
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COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(Cc1ccccc1)c1ccccc1C(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL4645267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVSJTGAAAMSIAW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
4.91
ALogP
8
HBA
1
HBD
77.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase DCLK1 CHEMBL5683 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 6.85 | 6.85 | 141.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase DCLK1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 resid... | 32530623 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 141.0 | nM | 6.85 | Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 r... | 32530623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine