Compound Detail
CHEMBL221781
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 | CHEMBL221781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEVSRAOSBWTHHU-PXNSSMCTSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
2.41
ALogP
6
HBA
0
HBD
85.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | EC50 | 6.12 | 6.12 | 750.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6667 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | EC50 | = | 750.0 | nM | 6.12 | Inhibition of TNF alpha-induced necroptosis in FADD-deficient variant human Jurk... | 17361994 |
| Jurkat | EC50 | = | 750.0 | nM | 6.12 | Inhibition of TNFalpha-induced necroptosis in FEDD-deficient human Jurkat T cell... | 22832318 |
| Jurkat | EC50 | = | 750.0 | nM | 6.12 | Antiproliferative activity against human Jurkat cells assessed as reduction in c... | 38199165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22832318 | 10.1016/j.bmcl.2012.06.098 | Liver | 2 |
| 17361994 | 10.1021/jm061016o | Jurkat | 1 |
| 22832318 | 10.1016/j.bmcl.2012.06.098 | Jurkat | 1 |
| 38199165 | 10.1016/j.ejmech.2024.116123 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine