Compound Detail
CHEMBL4449407
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)c(O)c1.[Br-]
Basic Information
| ChEMBL ID | CHEMBL4449407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQBRNXOUWKAOMT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4595690 |
| Active Moiety | CHEMBL4595690 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
554.7
MW (Da)
6.94
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.71 | 4.61 | 19400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 19400.0 | nM | 4.71 | Antioxidant activity assessed as ABTS radical scavenging activity measured after... | 30784884 |
| No relevant target | IC50 | = | 31000.0 | nM | 4.51 | 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 | 9 |
| 30784884 | 10.1016/j.ejmech.2019.01.055 | No relevant target | 5 |
| 30784884 | 10.1016/j.ejmech.2019.01.055 | HepG2 | 3 |
Data from ChEMBL 36 via Core Engine