Compound Detail
CHEMBL5596475
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Basic Information
| ChEMBL ID | CHEMBL5596475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAVTWOJXZSFIOV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
4.43
ALogP
7
HBA
2
HBD
79.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 8.3 | 7.52 | 5.0 | 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 | = | 5.0 | nM | 8.3 | Inhibition of N-terminal poly his-tagged recombinant RIPK2 (8 to 310 residues) (... | 38008339 |
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of RIPK2 in MDP stimulated NOD2 in human THP-1 cells expressing lucia... | 38008339 |
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 109.0 | nM | 6.96 | 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 |
| 38008339 | 10.1016/j.bmcl.2023.129567 | Epidermal growth factor receptor | 1 |
| 38008339 | 10.1016/j.bmcl.2023.129567 | Tyrosine-protein kinase Fyn | 1 |
| 38008339 | 10.1016/j.bmcl.2023.129567 | Vascular endothelial growth factor receptor 2 | 1 |
| 38008339 | 10.1016/j.bmcl.2023.129567 | Serine/threonine-protein kinase 10 | 1 |
| 38008339 | 10.1016/j.bmcl.2023.129567 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 38008339 | 10.1016/j.bmcl.2023.129567 | Tyrosine-protein kinase Lyn | 1 |
Data from ChEMBL 36 via Core Engine