Compound Detail
CHEMBL514105
DICITRININ A Enter ChEMBL ID:
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Cc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@H]5C)O[C@H](C)[C@H]2C
Basic Information
| ChEMBL ID | CHEMBL514105 |
| Name | DICITRININ A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZDGQCYEIYZRBL-NRMKKVEVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.99
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 10600.0 | nM | 4.97 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 18281952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18281952 | 10.1021/np0704708 | NON-PROTEIN TARGET | 1 |
| 18281952 | 10.1021/np0704708 | Radical scavenging activity | 1 |
| 21761866 | 10.1021/jm200511x | HL-60 | 1 |
| 21761866 | 10.1021/jm200511x | HCT-116 | 1 |
| 21761866 | 10.1021/jm200511x | KB | 1 |
| 26295595 | 10.1021/acs.jnatprod.5b00450 | Aeromonas hydrophila | 1 |
| 26295595 | 10.1021/acs.jnatprod.5b00450 | Edwardsiella tarda | 1 |
| 26295595 | 10.1021/acs.jnatprod.5b00450 | Vibrio alginolyticus | 1 |
| 26295595 | 10.1021/acs.jnatprod.5b00450 | Vibrio anguillarum | 1 |
| 26295595 | 10.1021/acs.jnatprod.5b00450 | Vibrio harveyi | 1 |
| 26295595 | 10.1021/acs.jnatprod.5b00450 | Vibrio parahaemolyticus | 1 |
Data from ChEMBL 36 via Core Engine