Compound Detail
CHEMBL3910616
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C=C(C)C(=O)Cc1c(OC)c(O)cc2oc3c4c(cc(O)c3c(=O)c12)OC(CO)C4(C)C
Basic Information
| ChEMBL ID | CHEMBL3910616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBDXHFAUDGSYEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
3.08
ALogP
8
HBA
3
HBD
126.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 13200.0 | nM | 4.88 | Neuroprotective activity in human SH-SY5Y cells assessed as reduction in oxygen ... | 27420919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27420919 | 10.1021/acs.jnatprod.6b00204 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine