Compound Detail
CHEMBL4862514
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Basic Information
| ChEMBL ID | CHEMBL4862514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPWNVOHBTSBREO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.69
ALogP
5
HBA
0
HBD
59.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 6.81 | 6.81 | 153.7 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 6.2 | 6.2 | 635.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 153.7 | nM | 6.81 | Inhibition of N-terminal GST-fused human full length recombinant MNK1 (1 to 424 ... | 33971490 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 635.7 | nM | 6.2 | Inhibition of N-terminal GST-fused human full length recombinant MNK2 (1 to 465 ... | 33971490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33971490 | 10.1016/j.bmc.2021.116186 | MAP kinase-interacting serine/threonine-protein kinase 1 | 2 |
| 33971490 | 10.1016/j.bmc.2021.116186 | MAP kinase-interacting serine/threonine-protein kinase 2 | 2 |
Data from ChEMBL 36 via Core Engine