Compound Detail
CHEMBL517681
METHYLINOSCAVIN A Enter ChEMBL ID:
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COc1cc(/C=C/c2cc3c(c(=O)o2)C2(OC(C)=CC2=O)C(c2ccc(O)c(O)c2)O3)ccc1O
Basic Information
| ChEMBL ID | CHEMBL517681 |
| Name | METHYLINOSCAVIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNCIAIFVVJWMRV-ZZXKWVIFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
3.77
ALogP
9
HBA
3
HBD
135.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.97 | 4.835 | 10700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 10700.0 | nM | 4.97 | Antioxidant activity assessed as ABTS radical scavenging activity after 12 hrs b... | 16499338 |
| NON-PROTEIN TARGET | IC50 | = | 20000.0 | nM | 4.7 | Antioxidant activity assessed as superoxide radical anion scavenging activity af... | 16499338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16499338 | 10.1021/np050453n | NON-PROTEIN TARGET | 2 |
| 16499338 | 10.1021/np050453n | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine