Compound Detail
CHEMBL3125725
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Basic Information
| ChEMBL ID | CHEMBL3125725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTQDVZNJLFUQDW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
473.4
MW (Da)
4.47
ALogP
5
HBA
2
HBD
89.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 6.81 | 6.81 | 156.0 | 1 |
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 6.12 | 6.12 | 759.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 156.0 | nM | 6.81 | Inhibition of aurora B (unknown origin) | 24462666 |
| Serine/threonine-protein kinase TBK1 | IC50 | = | 759.0 | nM | 6.12 | Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as sub... | 24462666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24462666 | 10.1016/j.bmcl.2013.12.123 | Cyclin-dependent kinase 2 | 1 |
| 24462666 | 10.1016/j.bmcl.2013.12.123 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | 1 |
| 24462666 | 10.1016/j.bmcl.2013.12.123 | Serine/threonine-protein kinase TBK1 | 1 |
| 24462666 | 10.1016/j.bmcl.2013.12.123 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine