Compound Detail
CHEMBL4086319
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Basic Information
| ChEMBL ID | CHEMBL4086319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBFMGCZSHKQYOU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
1.17
ALogP
7
HBA
3
HBD
118.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1/2 CHEMBL3883293 | IC50 | 7.91 | 7.91 | 12.3 | 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 | = | 2.3 | nM | 8.64 | Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed... | 29526098 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 2.7 | nM | 8.57 | Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect ... | 29526098 |
| MAP kinase-interacting serine/threonine-protein kinase 1/2 | IC50 | = | 12.3 | nM | 7.91 | 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 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | PC-3 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | HCT-116 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | SW-620 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Vascular endothelial growth factor receptor 2 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Tyrosine-protein kinase ABL1 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine