Compound Detail
CHEMBL52214
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COC(=O)CSCc1c(O)c(CSCC(=O)OC)c2c(c1O)C[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](c1cc(O)c(O)c(O)c1)O2
Basic Information
| ChEMBL ID | CHEMBL52214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKPMSRDXQFGZPI-LYZGTLIUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
694.7
MW (Da)
3.05
ALogP
17
HBA
8
HBD
250.0
PSA (Ų)
0.08
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | 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