Compound Detail
CHEMBL3632747
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Basic Information
| ChEMBL ID | CHEMBL3632747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYUUMGNHANZHLX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.44
ALogP
7
HBA
2
HBD
85.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | Ki | 6.79 | 6.79 | 164.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | Ki | 6.5 | 6.5 | 320.0 | 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 | Ki | = | 164.0 | nM | 6.79 | Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubat... | 26408454 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | Ki | = | 320.0 | nM | 6.5 | Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substr... | 26408454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26408454 | 10.1016/j.ejmech.2015.09.008 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 26408454 | 10.1016/j.ejmech.2015.09.008 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 26408454 | 10.1016/j.ejmech.2015.09.008 | CDK9/cyclin T1 | 1 |
| 26408454 | 10.1016/j.ejmech.2015.09.008 | MV4-11 | 1 |
| 26408454 | 10.1016/j.ejmech.2015.09.008 | Mus musculus | 1 |
| 26408454 | 10.1016/j.ejmech.2015.09.008 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 34533957 | 10.1021/acs.jmedchem.1c00368 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 34533957 | 10.1021/acs.jmedchem.1c00368 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine