Compound Detail
CHEMBL1836637
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Basic Information
| ChEMBL ID | CHEMBL1836637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGLQMZWSWMDATD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.8
MW (Da)
3.48
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of TPL2 | 21862328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33215924 | 10.1021/acs.jmedchem.0c01174 | Serine/threonine-protein kinase 17B | 3 |
| 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 |
Data from ChEMBL 36 via Core Engine