Compound Detail
CHEMBL5176495
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Basic Information
| ChEMBL ID | CHEMBL5176495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKBIMZUEOUDERI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.9
MW (Da)
4.48
ALogP
6
HBA
2
HBD
95.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of Mnk1 (unknown origin) | 34533957 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Mnk2 (unknown origin) | 34533957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34533957 | 10.1021/acs.jmedchem.1c00368 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 34533957 | 10.1021/acs.jmedchem.1c00368 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine