Compound Detail
CHEMBL480075
GAMBOGENONE Enter ChEMBL ID:
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C=C(C)C1CC2(CC=C(C)C)CC(=O)C(C(O)=C(C(=O)c3ccc(O)c(O)c3)C2=O)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL480075 |
| Name | GAMBOGENONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEEKTRKRLASDJR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
5.22
ALogP
6
HBA
3
HBD
111.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.41 | 4.41 | 38700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 38700.0 | nM | 4.41 | Antioxidant activity assessed as DPPH radical scavenging activity | 15787435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15787435 | 10.1021/np0497595 | Radical scavenging activity | 1 |
| 15787435 | 10.1021/np0497595 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine