Compound Detail
CHEMBL398682
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Basic Information
| ChEMBL ID | CHEMBL398682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDNVDXJTQZMBCR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
285.7
MW (Da)
2.57
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | EC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | EC50 | = | 1000.0 | nM | 6.0 | Inhibition of TNF-alpha-induced necroptosis in FADD-deficient human Jurkat T cel... | 17964153 |
| Jurkat | EC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against human Jurkat cells assessed as reduction in c... | 38199165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17964153 | 10.1016/j.bmcl.2007.10.024 | Jurkat | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| 38199165 | 10.1016/j.ejmech.2024.116123 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine