Compound Detail
CHEMBL4575832
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Basic Information
| ChEMBL ID | CHEMBL4575832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQLDODIEEKFQOP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.47
ALogP
8
HBA
3
HBD
107.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 6.12 | 5.475 | 764.0 | 2 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | IC50 | = | 764.0 | nM | 6.12 | Inhibition of recombinant full length human N-terminal His-tagged TBK1 using bio... | 31859507 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon | IC50 | = | 940.0 | nM | 6.03 | Inhibition of recombinant full length human C-terminal GST-tagged IKKepsilon exp... | 31859507 |
| Serine/threonine-protein kinase TBK1 | IC50 | = | 14700.0 | nM | 4.83 | Inhibition of recombinant full length human N-terminal His-tagged TBK1 using bio... | 31859507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31859507 | 10.1021/acs.jmedchem.9b01460 | Serine/threonine-protein kinase TBK1 | 2 |
| 31859507 | 10.1021/acs.jmedchem.9b01460 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | 1 |
| 31859507 | 10.1021/acs.jmedchem.9b01460 | IKK epsilon/TBK1 | 1 |
| 31859507 | 10.1021/acs.jmedchem.9b01460 | SK-MEL-2 | 1 |
| 31859507 | 10.1021/acs.jmedchem.9b01460 | ACHN | 1 |
Data from ChEMBL 36 via Core Engine