Compound Detail
CHEMBL5188220
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Basic Information
| ChEMBL ID | CHEMBL5188220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLICSIWZUFEAMK-HNNXBMFYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
2.36
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.6
Kd 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | Kd | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | EC50 | = | 2.5 | nM | 8.6 | Anti-necroptic activity in human HT-29 cells assessed as inhibition of TSZ induc... | 35398729 |
| Receptor-interacting serine/threonine-protein kinase 1 | Kd | = | 31.0 | nM | 7.51 | Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) e... | 35398729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35398729 | 10.1016/j.ejmech.2022.114345 | HT-29 | 6 |
| 35398729 | 10.1016/j.ejmech.2022.114345 | Receptor-interacting serine/threonine-protein kinase 1 | 4 |
| 35398729 | 10.1016/j.ejmech.2022.114345 | Mus musculus | 4 |
| 35398729 | 10.1016/j.ejmech.2022.114345 | Receptor-interacting serine/threonine-protein kinase 3 | 3 |
| 35398729 | 10.1016/j.ejmech.2022.114345 | Mixed lineage kinase domain-like protein | 3 |
| 35398729 | 10.1016/j.ejmech.2022.114345 | U-937 | 1 |
| 35398729 | 10.1016/j.ejmech.2022.114345 | L929 | 1 |
| 35398729 | 10.1016/j.ejmech.2022.114345 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine