Compound Detail
CHEMBL470520
GARCINIAPHENONE Enter ChEMBL ID:
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CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@H](C2=O)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL470520 |
| Name | GARCINIAPHENONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFVUBPRPIUMLNH-PGKWVRKKSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
6.19
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin G CHEMBL4071 | IC50 | 4.01 | 4.01 | 97600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin G | IC50 | = | 97600.0 | nM | 4.01 | Inhibition of cathepsin G by spectrofluorimetry | 18995931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18995931 | 10.1016/j.ejmech.2008.09.018 | Papain | 4 |
| 18995931 | 10.1016/j.ejmech.2008.09.018 | Unchecked | 3 |
| 18995931 | 10.1016/j.ejmech.2008.09.018 | Cathepsin B | 1 |
| 18995931 | 10.1016/j.ejmech.2008.09.018 | Cathepsin G | 1 |
Data from ChEMBL 36 via Core Engine