Compound Detail
CHEMBL5598474
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Basic Information
| ChEMBL ID | CHEMBL5598474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXHKFBPZXPCYST-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
5.59
ALogP
7
HBA
2
HBD
79.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 8.1 | 7.355 | 8.0 | 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 | = | 8.0 | nM | 8.1 | Inhibition of N-terminal poly his-tagged recombinant RIPK2 (8 to 310 residues) (... | 38008339 |
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 243.0 | nM | 6.61 | Inhibition of RIPK2 in C14-Tri-LAN-Gly stimulated NOD1 in human THP-1 cells expr... | 38008339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38008339 | 10.1016/j.bmcl.2023.129567 | Receptor-interacting serine/threonine-protein kinase 2 | 4 |
Data from ChEMBL 36 via Core Engine