Compound Detail
CHEMBL5186068
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Basic Information
| ChEMBL ID | CHEMBL5186068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLIORPUQKOJRDE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.32
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 7.4 | 7.4 | 39.8 | 1 |
| Eukaryotic translation initiation factor 4E CHEMBL4848 | IC50 | 7.4 | 7.4 | 39.8 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 7.3 | 7.3 | 50.1 | 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 | = | 39.81 | nM | 7.4 | Inhibition of Mnk2 (unknown origin) | 34533957 |
| Eukaryotic translation initiation factor 4E | IC50 | = | 39.81 | nM | 7.4 | Inhibition of eIF4E (unknown origin) | 34533957 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 50.12 | nM | 7.3 | Inhibition of Mnk1 (unknown origin) | 34533957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34533957 | 10.1021/acs.jmedchem.1c00368 | MAP kinase-interacting serine/threonine-protein kinase 2 | 2 |
| 34533957 | 10.1021/acs.jmedchem.1c00368 | MAP kinase-interacting serine/threonine-protein kinase 1 | 2 |
| 34533957 | 10.1021/acs.jmedchem.1c00368 | Eukaryotic translation initiation factor 4E | 2 |
| 33892273 | 10.1016/j.ejmech.2021.113420 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 33892273 | 10.1016/j.ejmech.2021.113420 | Aurora kinase C | 1 |
| 33892273 | 10.1016/j.ejmech.2021.113420 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine