Compound Detail
CHEMBL4748561
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Basic Information
| ChEMBL ID | CHEMBL4748561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVXWLWJCESMJAZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.81
ALogP
5
HBA
1
HBD
63.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B CHEMBL3980 | IC50 | 7.13 | 6.61 | 74.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B | IC50 | = | 74.0 | nM | 7.13 | Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (u... | 33215924 |
| Serine/threonine-protein kinase 17B | IC50 | = | 820.0 | nM | 6.09 | Binding affinity to C-terminal nano-luciferase tagged STK17B (unknown origin) ex... | 33215924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Serine/threonine-protein kinase 17B | 3 |
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Serine/threonine-protein kinase 17A | 1 |
| 33215924 | 10.1021/acs.jmedchem.0c01174 | ADMET | 1 |
| 33215924 | 10.1021/acs.jmedchem.0c01174 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine