Compound Detail
CHEMBL4469781
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Basic Information
| ChEMBL ID | CHEMBL4469781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXUZHBQHZWBYMN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
4.77
ALogP
6
HBA
1
HBD
72.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 8.89 | 8.815 | 1.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human RIPK1 by ADP-Glo assay | 31622096 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 1.8 | nM | 8.74 | Inhibition of GSK657 binding to human RIPK1 (1 to 328) by fluorescence Polarizat... | 31622096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31622096 | 10.1021/acs.jmedchem.9b01317 | Receptor-interacting serine/threonine-protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine