Compound Detail
CHEMBL4091862
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4091862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWHJLJMQWMLRNN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
0.96
ALogP
6
HBA
2
HBD
88.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1/2 CHEMBL3883293 | IC50 | 6.24 | 6.24 | 580.0 | 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 | = | 2.6 | nM | 8.59 | Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed... | 29526098 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 6.5 | nM | 8.19 | Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect ... | 29526098 |
| MAP kinase-interacting serine/threonine-protein kinase 1/2 | IC50 | = | 580.0 | nM | 6.24 | Inhibition of MNK1/2 in human HCT116 cells assessed as decrease in eIF4E phospho... | 29526098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29526098 | 10.1021/acs.jmedchem.7b01795 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | MAP kinase-interacting serine/threonine-protein kinase 1/2 | 1 |
Data from ChEMBL 36 via Core Engine