Compound Detail
CHEMBL5633512
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Basic Information
| ChEMBL ID | CHEMBL5633512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VINSCOZAZPCNEQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
392.9
MW (Da)
5.04
ALogP
7
HBA
1
HBD
68.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 8.15 | 7.42 | 7.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of N-terminal polyHis-tagged human RIPK2 (8 to 310 residues) expresse... | 37598483 |
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of RIPK2-mediated NF-kappaB signalling in MDP-treated human THP-1 cel... | 37598483 |
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 146.0 | nM | 6.84 | Inhibition of RIPK2-mediated NF-kappaB signalling in C14-TriLAN-Gly-treated huma... | 37598483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37598483 | 10.1016/j.ejmech.2023.115717 | ADMET | 4 |
| 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