Compound Detail
CHEMBL4473105
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Basic Information
| ChEMBL ID | CHEMBL4473105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNUUHYUGXNCBIN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.56
ALogP
8
HBA
1
HBD
94.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 8.4 | 7.415 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of fluorescent-labelled ligand binding to human RIP2K preincubated fo... | 31265286 |
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 374.0 | nM | 6.43 | Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-induced TN... | 31265286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31265286 | 10.1021/acs.jmedchem.9b00575 | Receptor-interacting serine/threonine-protein kinase 2 | 2 |
| 31265286 | 10.1021/acs.jmedchem.9b00575 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine