Compound Detail
CHEMBL4076439
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 | CHEMBL4076439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCYFTLJVXBVKHG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
4
PK Parameters
20
Publications
0
Known Names
Molecular Properties
360.8
MW (Da)
1.98
ALogP
7
HBA
3
HBD
114.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 9.17 | 9.17 | 0.7 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1/2 CHEMBL3883293 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 58.0 | % | Mus musculus |
| F | 28.0 | % | Rattus norvegicus |
| F | 100.0 | % | Canis lupus familiaris |
| F | 50.0 | % | Macaca fascicularis |
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 | = | 0.65 | nM | 9.19 | Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect ... | 29526098 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 0.68 | nM | 9.17 | Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed... | 29526098 |
| MAP kinase-interacting serine/threonine-protein kinase 1/2 | IC50 | = | 0.79 | nM | 9.1 | 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 | Liver | 3 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | ADMET | 2 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Canis familiaris | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Serine/threonine-protein kinase BRSK1 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Dual specificity tyrosine-phosphorylation-regulated kinase 3 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | TGF-beta receptor type-2 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Dual specificity protein kinase CLK4 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Serine/threonine-protein kinase 17B | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Serine/threonine-protein kinase 17A | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Cynomolgus monkey | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Rattus norvegicus | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Mus musculus | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | No relevant target | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Vascular endothelial growth factor receptor 2 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | MAP kinase-interacting serine/threonine-protein kinase 1/2 | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine