Compound Detail
CHEMBL2164987
GEMICHALCONE A Enter ChEMBL ID:
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COc1cc(/C=C/C(=O)OC/C(C)=C\Cc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL2164987 |
| Name | GEMICHALCONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZHIKCIPCFAOPM-MZNNUVDVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
5.16
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL4814 | IC50 | 5.18 | 4.67 | 6600.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.13 | 4.13 | 73600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of degranulated rat neutrophils beta-glucuronidase | 31835168 |
| Beta-glucuronidase | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of degranulated rat peritoneal mast cells beta-glucuronidase | 31835168 |
| Unchecked | IC50 | = | 73600.0 | nM | 4.13 | Inhibition of tyrosinase using L-dihydroxyphenylalanine as substrate preincubate... | 23113717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23113717 | 10.1021/np300576w | Unchecked | 2 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 2 |
Data from ChEMBL 36 via Core Engine