Compound Detail
CHEMBL5555274
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CC(C)(C)c1ccc(Cn2nc(-c3ccc4c(c3)CCN4C(=O)Cc3cccc(OC(F)(F)F)c3)c3c(N)n[nH]c(=O)c32)cc1
Basic Information
| ChEMBL ID | CHEMBL5555274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFYPOCXEBVHHFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
616.6
MW (Da)
5.75
ALogP
7
HBA
2
HBD
119.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L929 CHEMBL612267 | EC50 | 6.18 | 6.18 | 659.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L929 | EC50 | = | 659.2 | nM | 6.18 | Anti-necroptosis activity against TSZ-induced mouse L929 cells | 38171150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38171150 | 10.1016/j.ejmech.2023.116076 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 38171150 | 10.1016/j.ejmech.2023.116076 | HT-29 | 1 |
| 38171150 | 10.1016/j.ejmech.2023.116076 | U-937 | 1 |
| 38171150 | 10.1016/j.ejmech.2023.116076 | L929 | 1 |
Data from ChEMBL 36 via Core Engine