Compound Detail
CHEMBL2312142
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Basic Information
| ChEMBL ID | CHEMBL2312142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTRKGSFSZXFLJT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.12
ALogP
6
HBA
1
HBD
64.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TRAF2 and NCK-interacting protein kinase CHEMBL4527 | IC50 | 8.22 | 6.395 | 6.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TRAF2 and NCK-interacting protein kinase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of TNIK (unknown origin) by ADP glo luminescent assay | 23232060 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human ERG by patch clamp assay | 23232060 |
| TRAF2 and NCK-interacting protein kinase | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of TNIK-mediated TCF4/beta-casein transcription in human HCT116 cells... | 23232060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23232060 | 10.1016/j.bmcl.2012.11.013 | TRAF2 and NCK-interacting protein kinase | 4 |
| 23232060 | 10.1016/j.bmcl.2012.11.013 | Caco-2 | 3 |
| 23232060 | 10.1016/j.bmcl.2012.11.013 | Serine/threonine-protein kinase Chk1 | 1 |
| 23232060 | 10.1016/j.bmcl.2012.11.013 | CDK6/cyclin D1 | 1 |
| 23232060 | 10.1016/j.bmcl.2012.11.013 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 23232060 | 10.1016/j.bmcl.2012.11.013 | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 23232060 | 10.1016/j.bmcl.2012.11.013 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | 1 |
| 23232060 | 10.1016/j.bmcl.2012.11.013 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 23232060 | 10.1016/j.bmcl.2012.11.013 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23232060 | 10.1016/j.bmcl.2012.11.013 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine