Compound Detail
CHEMBL4539725
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Basic Information
| ChEMBL ID | CHEMBL4539725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYUKEVKPDRXPAB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
2.45
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 4.51 | 4.51 | 31000.0 | 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 | = | 6000.0 | nM | 5.22 | Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) e... | 31910010 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) e... | 31910010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731689 | 10.1039/d3md00242j | Bifunctional dihydrofolate reductase-thymidylate synthase | 3 |
| 31910010 | 10.1021/acs.jmedchem.9b01582 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 31910010 | 10.1021/acs.jmedchem.9b01582 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 37731689 | 10.1039/d3md00242j | Unchecked | 1 |
| 37731689 | 10.1039/d3md00242j | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine