Compound Detail
CHEMBL196317
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Basic Information
| ChEMBL ID | CHEMBL196317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PANAMPMZPUJRLL-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
1.26
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.89
IC50 1 meas. best 6.68
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 210.0 | nM | 6.68 | Antiproliferative activity against human Jurkat cells assessed as reduction in c... | 38199165 |
| Jurkat | EC50 | = | 1300.0 | nM | 5.89 | Effective concentration required for inhibition of necroptosis in FADD deficient... | 16153840 |
| Jurkat | EC50 | = | 1300.0 | nM | 5.89 | Inhibition of cellular necroptosis in TNFalpha treated FADD deficient human Jurk... | 18408713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16153840 | 10.1016/j.bmcl.2005.07.077 | Jurkat | 1 |
| 18408713 | 10.1038/nchembio.83 | Jurkat | 1 |
| 18408713 | 10.1038/nchembio.83 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 38199165 | 10.1016/j.ejmech.2024.116123 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine