Compound Detail
CHEMBL198336
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Basic Information
| ChEMBL ID | CHEMBL198336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXRADUVBXANVMZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
1.27
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | EC50 | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | EC50 | = | 710.0 | nM | 6.15 | Effective concentration required for inhibition of necroptosis in FADD deficient... | 16153840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16153840 | 10.1016/j.bmcl.2005.07.077 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine