Compound Detail
CHEMBL4544432
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CS(=O)(=O)[O-].O=C(Cc1cc(O)c(O)c(O)c1)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4544432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDEDPAODVVUYNV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4595242 |
| Active Moiety | CHEMBL4595242 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
5.02
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.02 | 4.825 | 9500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 9500.0 | nM | 5.02 | Antioxidant activity assessed as ABTS radical scavenging activity measured after... | 30784884 |
| No relevant target | IC50 | = | 23500.0 | nM | 4.63 | 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 | 8 |
| 30784884 | 10.1016/j.ejmech.2019.01.055 | No relevant target | 5 |
| 30784884 | 10.1016/j.ejmech.2019.01.055 | Unchecked | 3 |
| 30784884 | 10.1016/j.ejmech.2019.01.055 | HepG2 | 2 |
Data from ChEMBL 36 via Core Engine