Compound Detail
CHEMBL4763392
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Basic Information
| ChEMBL ID | CHEMBL4763392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRIRDIKTUQVZCW-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
4.75
ALogP
6
HBA
1
HBD
63.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.54
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 4 CHEMBL1075167 | Kd | 6.54 | 6.54 | 290.0 | 1 |
| Serine/threonine-protein kinase 17B CHEMBL3980 | Kd | 6.04 | 6.04 | 910.0 | 1 |
| Serine/threonine-protein kinase 17B CHEMBL3980 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | Kd | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 4 | Kd | = | 290.0 | nM | 6.54 | Binding affinity to human HIPK4 by KINOMEscan scanMAX assay | 33215924 |
| Serine/threonine-protein kinase 17B | Kd | = | 910.0 | nM | 6.04 | Binding affinity to N-terminal His-tagged STK17B kinase domain (25 to 329 residu... | 33215924 |
| Serine/threonine-protein kinase 17B | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (u... | 33215924 |
| Serine/threonine-protein kinase 17A | Kd | = | 9800.0 | nM | 5.01 | Binding affinity to STK17A (unknown origin) by KINOMEscan scanMAX assay | 33215924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724696 | U2OS | 8 |
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Serine/threonine-protein kinase 17B | 3 |
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Serine/threonine-protein kinase 17A | 2 |
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Homeodomain-interacting protein kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine