Compound Detail
CHEMBL4447142
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CS(=O)(=O)[O-].O=C(CCc1ccc(O)c(O)c1)NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4447142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFNYNHUHULRHKR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4598228 |
| Active Moiety | CHEMBL4598228 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
582.8
MW (Da)
7.26
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.52 | 4.375 | 30100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 30100.0 | nM | 4.52 | Antioxidant activity assessed as ABTS radical scavenging activity measured after... | 30784884 |
| No relevant target | IC50 | = | 59100.0 | nM | 4.23 | Antioxidant activity assessed as DPPH radical scavenging activity measured after... | 30784884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30784884 | 10.1016/j.ejmech.2019.01.055 | SH-SY5Y | 7 |
| 30784884 | 10.1016/j.ejmech.2019.01.055 | No relevant target | 5 |
| 30784884 | 10.1016/j.ejmech.2019.01.055 | HepG2 | 3 |
| 37939493 | 10.1016/j.bmc.2023.117512 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine