Compound Detail
CHEMBL3687168
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Basic Information
| ChEMBL ID | CHEMBL3687168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNDZOIQVTDQHDZ-NHCUHLMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
3.75
ALogP
8
HBA
2
HBD
105.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | IC50 | = | 18.0 | nM | 7.75 | Flashplate Assay: The kinase assay is performed as 384-well flashplate assay (fo... | - |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon | IC50 | = | 27.0 | nM | 7.57 | Flashplate Assay: 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin... | - |
Data from ChEMBL 36 via Core Engine