Compound Detail
CHEMBL4064839
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
CC1(c2cccc(Cl)c2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
Basic Information
| ChEMBL ID | CHEMBL4064839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZKFMYXHNVBJJV-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
485.3
MW (Da)
3.50
ALogP
7
HBA
3
HBD
118.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
EC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1/2 CHEMBL3883293 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| HCT-116 CHEMBL394 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| SW-620 CHEMBL612262 | EC50 | 5.55 | 5.55 | 2800.0 | 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 | = | 1.2 | nM | 8.92 | Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed... | 29526098 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect ... | 29526098 |
| MAP kinase-interacting serine/threonine-protein kinase 1/2 | IC50 | = | 1.8 | nM | 8.74 | Inhibition of MNK1/2 in human HCT116 cells assessed as decrease in eIF4E phospho... | 29526098 |
| HCT-116 | EC50 | = | 2700.0 | nM | 5.57 | Antiproliferative activity against human HCT116 cells after 72 hrs by CellTiter-... | 29526098 |
| SW-620 | EC50 | = | 2800.0 | nM | 5.55 | Antiproliferative activity against human SW620 cells after 72 hrs by CellTiter-G... | 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 | 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 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Tyrosine-protein kinase Yes | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Platelet-derived growth factor receptor beta | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Tyrosine-protein kinase Lck | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Aurora kinase A | 1 |
| 29526098 | 10.1021/acs.jmedchem.7b01795 | Platelet-derived growth factor receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine