Compound Detail
CHEMBL4743829
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Basic Information
| ChEMBL ID | CHEMBL4743829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXIRCXIRZUXJSJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.58
ALogP
7
HBA
3
HBD
107.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 6.41 | 6.41 | 389.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 6.32 | 6.32 | 479.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 389.0 | nM | 6.41 | Inhibition of recombinant human N-terminal GST-tagged MNK2 (1 to 465 residues) e... | 30824167 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 479.0 | nM | 6.32 | Inhibition of recombinant human N-terminal DYKDDDDK-tagged MNK1(1 to 424 residue... | 30824167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30824167 | 10.1016/j.bmc.2019.02.007 | MAP kinase-interacting serine/threonine-protein kinase 2 | 2 |
| 30824167 | 10.1016/j.bmc.2019.02.007 | MAP kinase-interacting serine/threonine-protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine