Compound Detail
CHEMBL4209496
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Basic Information
| ChEMBL ID | CHEMBL4209496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZROBKNPXIOQRBD-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.16
ALogP
6
HBA
1
HBD
74.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 6.85 | 6.85 | 140.0 | 2 |
| MAP kinase-interacting serine/threonine-protein kinase 1/2 CHEMBL3883293 | IC50 | 6.72 | 6.72 | 189.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 6.55 | 6.55 | 280.0 | 2 |
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 | = | 140.0 | nM | 6.85 | Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in... | 29683667 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of MNK2 (unknown origin) | 37360400 |
| MAP kinase-interacting serine/threonine-protein kinase 1/2 | IC50 | = | 189.0 | nM | 6.72 | Inhibition of MNK1/2 in human HeLa cells assessed as decrease in eIF4E phosphory... | 29683667 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 284.0 | nM | 6.55 | Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in... | 29683667 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of MNK1 (unknown origin) | 37360400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29683667 | 10.1021/acs.jmedchem.7b01714 | No relevant target | 3 |
| 37360400 | 10.1039/d3md00121k | No relevant target | 2 |
| 29683667 | 10.1021/acs.jmedchem.7b01714 | MAP kinase-interacting serine/threonine-protein kinase 1/2 | 1 |
| 29683667 | 10.1021/acs.jmedchem.7b01714 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 29683667 | 10.1021/acs.jmedchem.7b01714 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 37360400 | 10.1039/d3md00121k | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 37360400 | 10.1039/d3md00121k | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 37360400 | 10.1039/d3md00121k | ADMET | 1 |
Data from ChEMBL 36 via Core Engine