Compound Detail
CHEMBL4060481
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Basic Information
| ChEMBL ID | CHEMBL4060481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJWLCXWVFUXXNZ-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
4.32
ALogP
7
HBA
2
HBD
80.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 8.1
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B CHEMBL3980 | Kd | 8.1 | 8.1 | 8.0 | 1 |
| Serine/threonine-protein kinase 17B CHEMBL3980 | IC50 | 7.54 | 7.54 | 29.0 | 2 |
| Death-associated protein kinase 1 CHEMBL2558 | Kd | 7.27 | 7.27 | 54.0 | 2 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | Kd | 7.0 | 7.0 | 99.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B | Kd | = | 8.0 | nM | 8.1 | Binding affinity to DRAK2 (unknown origin) assessed as dissociation constant | 36645394 |
| Serine/threonine-protein kinase 17B | IC50 | = | 29.0 | nM | 7.54 | Inhibition of DRAK2 (unknown origin) | 28249207 |
| Serine/threonine-protein kinase 17B | IC50 | = | 29.0 | nM | 7.54 | Inhibition of DRAK2 (unknown origin) | 36645394 |
| Death-associated protein kinase 1 | Kd | = | 54.0 | nM | 7.27 | Binding affinity to DAPK1 (unknown origin) | 28249207 |
| Death-associated protein kinase 1 | Kd | = | 54.0 | nM | 7.27 | Binding affinity to DAPK1 (unknown origin) assessed as dissociation constant | 36645394 |
| Serine/threonine-protein kinase 17A | Kd | = | 99.0 | nM | 7.0 | Binding affinity to DRAK1 (unknown origin) | 28249207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36645394 | 10.1021/acs.jmedchem.2c01606 | Serine/threonine-protein kinase 17B | 2 |
| 28249207 | 10.1016/j.ejmech.2017.02.048 | Serine/threonine-protein kinase 17B | 1 |
| 28249207 | 10.1016/j.ejmech.2017.02.048 | Serine/threonine-protein kinase 17A | 1 |
| 28249207 | 10.1016/j.ejmech.2017.02.048 | Death-associated protein kinase 1 | 1 |
| 36645394 | 10.1021/acs.jmedchem.2c01606 | Death-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine