Compound Detail
CHEMBL125743
GALLOCATECHIN 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
Basic Information
| ChEMBL ID | CHEMBL125743 |
| Name | GALLOCATECHIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMOCLSLCDHWDHP-SWLSCSKDSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
1.25
ALogP
7
HBA
6
HBD
130.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Alpha-synuclein CHEMBL6152 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.52 | 4.52 | 30260.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.5 | 4.5 | 31300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.43 | 4.43 | 37500.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human Beta-secretase 1 | 14592472 |
| Alpha-synuclein | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of human alpha-synuclein filament formation expressed in Escherichia ... | 30743095 |
| BV-2 | IC50 | = | 30260.0 | nM | 4.52 | Antiinflammatory activity against mouse BV-2 cells assessed as reduction in LPS ... | 37683361 |
| No relevant target | IC50 | = | 31300.0 | nM | 4.5 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 28006914 |
| Unchecked | IC50 | = | 37500.0 | nM | 4.43 | Inhibition of Acyrthosiphon pisum phenoloxidase using L-DOPA as substrate preinc... | 28006914 |
| Prostaglandin G/H synthase 1 | IC50 | = | 95000.0 | nM | 4.02 | Inhibition of COX1 | 16038536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27623545 | 10.1016/j.bmcl.2016.08.094 | NON-PROTEIN TARGET | 5 |
| 10785422 | 10.1021/np990581+ | Hepatocyte | 3 |
| 14592472 | 10.1016/j.bmcl.2003.09.018 | Beta-secretase 1 | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 2 | 1 |
| 22196120 | 10.1016/j.bmcl.2011.11.109 | Unchecked | 1 |
| - | 10.1007/s00044-009-9233-5 | Apoptosis regulator Bcl-2 | 1 |
| 28006914 | 10.1021/acs.jnatprod.6b00720 | No relevant target | 1 |
| 28006914 | 10.1021/acs.jnatprod.6b00720 | Unchecked | 1 |
| 28006914 | 10.1021/acs.jnatprod.6b00720 | Mushroom tyrosinase | 1 |
| 30743095 | 10.1016/j.ejmech.2019.01.045 | Alpha-synuclein | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | BV-2 | 1 |
Data from ChEMBL 36 via Core Engine