Compound Detail
CHEMBL4871408
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4871408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IECXSYCNRXFRJS-AWEZNQCLSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
2.35
ALogP
5
HBA
2
HBD
83.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.55
Kd 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | EC50 | 8.55 | 8.55 | 2.8 | 2 |
| 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 | = | 2.8 | nM | 8.55 | Anti-necroptotic activity in human HT-29 cells assessed as inhibition of hTNFalp... | 33930803 |
| HT-29 | EC50 | = | 2.8 | nM | 8.55 | Anti-necroptosis activity against human HT-29 cells assessed as inhibition of TS... | 36724216 |
| 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 |
|---|---|---|---|
| 33930803 | 10.1016/j.ejmech.2021.113484 | HT-29 | 3 |
| 33930803 | 10.1016/j.ejmech.2021.113484 | Receptor-interacting serine/threonine-protein kinase 1 | 3 |
| 33930803 | 10.1016/j.ejmech.2021.113484 | Receptor-interacting serine/threonine-protein kinase 3 | 3 |
| 33930803 | 10.1016/j.ejmech.2021.113484 | Mixed lineage kinase domain-like protein | 2 |
| 36724216 | 10.1021/acs.jmedchem.2c02067 | HT-29 | 2 |
| 35398729 | 10.1016/j.ejmech.2022.114345 | HT-29 | 1 |
| 35398729 | 10.1016/j.ejmech.2022.114345 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine