Compound Detail
CHEMBL50515
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O=C(O[C@@H]1Cc2c(O)c(CSCc3ccccc3)c(O)c(CSCc3ccccc3)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL50515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCJWIDJORMTDSQ-RRTCDKLQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
730.8
MW (Da)
7.10
ALogP
13
HBA
8
HBD
197.4
PSA (Ų)
0.05
QED
4
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9600.0 | nM | 5.02 | Inhibitory activity against lipid peroxidation of egg-phosphatidylcholine (PC) l... | 9873437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873437 | 10.1016/s0960-894x(98)00311-4 | Unchecked | 2 |
| 9873437 | 10.1016/s0960-894x(98)00311-4 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine