Compound Detail
CHEMBL452501
GARCINIANONE A Enter ChEMBL ID:
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CC(C)=CCC/C(C)=C/CC1(CC=C(C)C)C(=O)C(O)=Cc2oc3cc(O)cc(O)c3c(=O)c21
Basic Information
| ChEMBL ID | CHEMBL452501 |
| Name | GARCINIANONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZFFGBOPCQADGY-VCHYOVAHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
6.36
ALogP
6
HBA
3
HBD
108.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alp... | 25651042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25651042 | 10.1021/np5008476 | Unchecked | 2 |
| 12932126 | 10.1021/np030065q | Artemia | 1 |
| 12932126 | 10.1021/np030065q | Radical scavenging activity | 1 |
| 25651042 | 10.1021/np5008476 | Bacillus cereus | 1 |
| 25651042 | 10.1021/np5008476 | Bacillus subtilis | 1 |
| 25651042 | 10.1021/np5008476 | Staphylococcus aureus | 1 |
| 25651042 | 10.1021/np5008476 | Escherichia coli | 1 |
| 25651042 | 10.1021/np5008476 | Salmonella typhimurium | 1 |
| 25651042 | 10.1021/np5008476 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine