Compound Detail
CHEMBL402102
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Basic Information
| ChEMBL ID | CHEMBL402102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDJBUXNCYWAFHM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
4.10
ALogP
2
HBA
1
HBD
34.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | EC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | EC50 | = | 7800.0 | nM | 5.11 | Inhibition of TNF-alpha-induced necroptosis in FADD-deficient human Jurkat T cel... | 18467094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18467094 | 10.1016/j.bmcl.2008.04.048 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine