Compound Detail
CHEMBL249199
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Basic Information
| ChEMBL ID | CHEMBL249199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUANXBZPALQPRT-ZETCQYMHSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
325.8
MW (Da)
3.70
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | EC50 | 6.55 | 6.55 | 280.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 42.6 | mL.min-1.g-1 | Mus musculus |
| T1/2 | 0.5417 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | EC50 | = | 280.0 | nM | 6.55 | Inhibition of TNF-alpha-induced necroptosis in FADD-deficient human Jurkat T cel... | 17964153 |
| Jurkat | EC50 | = | 280.0 | nM | 6.55 | Inhibition of TNF-alpha-induced necroptosis in FADD-deficient human Jurkat T cel... | 18467094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17964153 | 10.1016/j.bmcl.2007.10.024 | Jurkat | 2 |
| 17964153 | 10.1016/j.bmcl.2007.10.024 | L929 | 2 |
| 18467094 | 10.1016/j.bmcl.2008.04.048 | Jurkat | 2 |
| 18467094 | 10.1016/j.bmcl.2008.04.048 | Liver | 2 |
| 18467094 | 10.1016/j.bmcl.2008.04.048 | L929 | 2 |
| 17964153 | 10.1016/j.bmcl.2007.10.024 | Fibroblast | 1 |
| 18467094 | 10.1016/j.bmcl.2008.04.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine