Compound Detail
CHEMBL5780264
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CCOC(=O)c1c(Cl)cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n1Cc1ccc(OC)cc1
Basic Information
| ChEMBL ID | CHEMBL5780264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUWLWIVEUFNTIG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.0
MW (Da)
4.62
ALogP
10
HBA
2
HBD
133.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 7.26 | 7.26 | 55.0 | 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 | = | 55.0 | nM | 7.26 | Mnk Biochemical Enzymatic Assay: Compounds are screened for Mnk inhibition using... | - |
Data from ChEMBL 36 via Core Engine