Compound Detail
CHEMBL3417208
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Basic Information
| ChEMBL ID | CHEMBL3417208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CINRTWVKWZXYPY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
1.54
ALogP
7
HBA
2
HBD
102.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | Ki | 5.35 | 5.35 | 4510.0 | 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 | = | 1600.0 | nM | 5.8 | Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E pepti... | 25800647 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | Ki | = | 4510.0 | nM | 5.35 | Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E pepti... | 25800647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25800647 | 10.1016/j.ejmech.2015.03.032 | MV4-11 | 1 |
| 25800647 | 10.1016/j.ejmech.2015.03.032 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 25800647 | 10.1016/j.ejmech.2015.03.032 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine