Compound Detail
CHEMBL1813184
XYLARENONE D Enter ChEMBL ID:
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C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)[C@H](OC(=O)C(O)(CO)CC(C)CC(C)CC)CC[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL1813184 |
| Name | XYLARENONE D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDUXJTBXTOQGFF-GKKXYILRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
2.72
ALogP
7
HBA
3
HBD
116.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.24 | 5.24 | 5730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5730.0 | nM | 5.24 | Antioxidant activity in human neutrophils assessed as inhibition of oxidative bu... | 24588269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21510613 | 10.1021/np1005983 | Proprotein convertase subtilisin/kexin type 7 | 5 |
| 24588269 | 10.1021/np400825s | NON-PROTEIN TARGET | 5 |
| 21510613 | 10.1021/np1005983 | Unchecked | 1 |
| 24588269 | 10.1021/np400825s | Myeloperoxidase | 1 |
| 24588269 | 10.1021/np400825s | ADMET | 1 |
Data from ChEMBL 36 via Core Engine