Compound Detail
CHEMBL4209223
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
COc1ccc(/C=C/C(=O)O[C@@H]2C[C@@](O)(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@H]32)cc1O
Basic Information
| ChEMBL ID | CHEMBL4209223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOYKWOOKYIPTGP-BKCJBEQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
540.5
MW (Da)
-1.63
ALogP
13
HBA
7
HBD
204.8
PSA (Ų)
0.15
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 3900.0 | nM | 5.41 | Peroxynitrite scavenging activity assessed as inhibition of DHR 123 oxidation af... | 28787158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28787158 | 10.1021/acs.jnatprod.7b00139 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine