Compound Detail
CHEMBL1836721
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Basic Information
| ChEMBL ID | CHEMBL1836721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAUXTEABCSHUTA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.63
ALogP
6
HBA
2
HBD
106.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.96
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B CHEMBL3980 | Kd | 7.96 | 7.96 | 11.0 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | Kd | 6.57 | 6.57 | 270.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B | Kd | = | 11.0 | nM | 7.96 | Binding affinity to N-terminal His-tagged STK17B kinase domain (25 to 329 residu... | 33215924 |
| Serine/threonine-protein kinase 17A | Kd | = | 270.0 | nM | 6.57 | Binding affinity to STK17A (unknown origin) by KINOMEscan scanMAX assay | 33215924 |
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of TPL2 | 21862328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Serine/threonine-protein kinase 17B | 2 |
| 21862328 | 10.1016/j.bmcl.2011.07.069 | Mitogen-activated protein kinase kinase kinase 8 | 1 |
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Serine/threonine-protein kinase 17A | 1 |
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine