Compound Detail
CHEMBL51024
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O=C(O[C@H]1[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@H]1SCCO)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL51024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHHBMJFEBOOKPB-VJBWXMMDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
2.46
ALogP
13
HBA
9
HBD
217.6
PSA (Ų)
0.16
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.69 | 4.69 | 20500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20500.0 | nM | 4.69 | 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