Compound Detail
CHEMBL2332673
AVICULIN 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
COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL2332673 |
| Name | AVICULIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPJFPMQEUVMUKU-CDDCGRQRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
0.87
ALogP
10
HBA
6
HBD
158.3
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.4 | 4.4 | 40200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 40200.0 | nM | 4.4 | Antiinflammatory activity against LPS-stimulated mouse BV2 cells assessed as inh... | 25894905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23540981 | 10.1021/np3007638 | RAW264.7 | 2 |
| 23540981 | 10.1021/np3007638 | Radical scavenging activity | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | C6 | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | ADMET | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | NON-PROTEIN TARGET | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | SK-OV-3 | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | A549 | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | SK-MEL-2 | 1 |
| 25894905 | 10.1021/acs.jnatprod.5b00090 | HCT-15 | 1 |
| 29223588 | 10.1016/j.bmcl.2017.11.045 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine