Compound Detail
CHEMBL5632922
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Basic Information
| ChEMBL ID | CHEMBL5632922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGSRGMUNQNJRJN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
4.99
ALogP
6
HBA
1
HBD
55.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 7.66 | 6.6933 | 22.0 | 3 |
| Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of N-terminal polyHis-tagged human RIPK2 (8 to 310 residues) expresse... | 37598483 |
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 523.0 | nM | 6.28 | Inhibition of RIPK2-mediated NF-kappaB signalling in MDP-treated human THP-1 cel... | 37598483 |
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 726.0 | nM | 6.14 | Inhibition of RIPK2-mediated NF-kappaB signalling in C14-TriLAN-Gly-treated huma... | 37598483 |
| Receptor-interacting serine/threonine-protein kinase 3 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of N-terminal polyHis-tagged human RIPK3 (1 to 307 residues) expresse... | 37598483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37598483 | 10.1016/j.ejmech.2023.115717 | Receptor-interacting serine/threonine-protein kinase 2 | 3 |
| 37598483 | 10.1016/j.ejmech.2023.115717 | Receptor-interacting serine/threonine-protein kinase 3 | 1 |
| 37598483 | 10.1016/j.ejmech.2023.115717 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 37598483 | 10.1016/j.ejmech.2023.115717 | Receptor-interacting serine/threonine-protein kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine