Compound Detail
CHEMBL452714
GLYCYRRHETINIC ACID MONOISOPHTHALATE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1(C)[C@@H](OC(=O)c2cccc(C(=O)O)c2)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL452714 |
| Name | GLYCYRRHETINIC ACID MONOISOPHTHALATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPCQLEZFKYLUGD-PZPBRRGHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
618.8
MW (Da)
7.98
ALogP
5
HBA
2
HBD
118.0
PSA (Ų)
0.33
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.66 | 5.8833 | 220.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | Inhibition of chymotrypsin-like activity of human 20S proteasome | 18562200 |
| Unchecked | IC50 | = | 2910.0 | nM | 5.54 | Inhibition of trypsin-like activity of human 20S proteasome | 18562200 |
| Unchecked | IC50 | = | 3560.0 | nM | 5.45 | Inhibition of caspase-like activity of human 20S proteasome | 18562200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18562200 | 10.1016/j.bmc.2008.05.078 | Unchecked | 5 |
Data from ChEMBL 36 via Core Engine