Compound Detail
CHEMBL5835811
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COc1c(Nc2cc(C)c3n(c2=O)C2(CCCCC2)NC3=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5835811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBHCGXYFGTZHNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
4.74
ALogP
11
HBA
2
HBD
154.0
PSA (Ų)
0.53
QED
2
Ro5 Violations
4
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