Compound Detail
CHEMBL5433785
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Basic Information
| ChEMBL ID | CHEMBL5433785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUKXESAZGMJHLJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.12
ALogP
8
HBA
3
HBD
121.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B CHEMBL3980 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Death-associated protein kinase 3 CHEMBL2468 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Death-associated protein kinase 1 CHEMBL2558 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B | IC50 | = | 10.0 | nM | 8.0 | Inhibition of DRAK2 (unknown origin) | 36645394 |
| Serine/threonine-protein kinase 17A | IC50 | = | 100.0 | nM | 7.0 | Inhibition of DRAK1 (unknown origin) | 36645394 |
| Death-associated protein kinase 3 | IC50 | = | 310.0 | nM | 6.51 | Inhibition of DAPK3 (unknown origin) | 36645394 |
| Death-associated protein kinase 1 | IC50 | = | 370.0 | nM | 6.43 | Inhibition of DAPK1 (unknown origin) | 36645394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36645394 | 10.1021/acs.jmedchem.2c01606 | Death-associated protein kinase 1 | 1 |
| 36645394 | 10.1021/acs.jmedchem.2c01606 | Serine/threonine-protein kinase 17A | 1 |
| 36645394 | 10.1021/acs.jmedchem.2c01606 | Serine/threonine-protein kinase 17B | 1 |
| 36645394 | 10.1021/acs.jmedchem.2c01606 | Death-associated protein kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine