Compound Detail
CHEMBL1836717
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Basic Information
| ChEMBL ID | CHEMBL1836717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWQVHRFBPFODIM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.41
ALogP
6
HBA
1
HBD
86.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B CHEMBL3980 | IC50 | 7.46 | 6.48 | 35.0 | 2 |
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B | IC50 | = | 35.0 | nM | 7.46 | Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (u... | 33215924 |
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of TPL2 | 21862328 |
| Serine/threonine-protein kinase 17B | IC50 | = | 3200.0 | nM | 5.5 | Binding affinity to C-terminal nano-luciferase tagged STK17B (unknown origin) ex... | 33215924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21862328 | 10.1016/j.bmcl.2011.07.069 | Mitogen-activated protein kinase kinase kinase 8 | 4 |
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Serine/threonine-protein kinase 17B | 3 |
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Serine/threonine-protein kinase 17A | 1 |
Data from ChEMBL 36 via Core Engine