Compound Detail
CHEMBL460020
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
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(=O)CCCCCCC(=O)Nc4cc5ccc(O[C@@H]6OC(C)(C)[C@H](OC)[C@@H](O)[C@H]6O)c(C)c5oc4=O)c(=O)oc3c2C)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL460020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUUUDHBQMXEYTJ-DDVKBGKESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
868.9
MW (Da)
3.94
ALogP
16
HBA
6
HBD
254.9
PSA (Ų)
0.07
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SH-SY5Y CHEMBL614910 | EC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SH-SY5Y | EC50 | = | 4.482 | nM | 8.35 | Neuroprotection against beta-amyloid peptide 1-42-induced toxicity in human SH-S... | 19138859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19138859 | 10.1016/j.bmc.2008.12.047 | SH-SY5Y | 3 |
Data from ChEMBL 36 via Core Engine