Compound Detail
CHEMBL2312150
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Basic Information
| ChEMBL ID | CHEMBL2312150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGIBPOCMZCLEEG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
5.00
ALogP
6
HBA
1
HBD
55.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TRAF2 and NCK-interacting protein kinase CHEMBL4527 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TRAF2 and NCK-interacting protein kinase | IC50 | = | 41.0 | nM | 7.39 | Inhibition of TNIK (unknown origin) by ADP glo luminescent assay | 23232060 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human ERG by patch clamp assay | 23232060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23232060 | 10.1016/j.bmcl.2012.11.013 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23232060 | 10.1016/j.bmcl.2012.11.013 | TRAF2 and NCK-interacting protein kinase | 1 |
Data from ChEMBL 36 via Core Engine