Compound Detail
CHEMBL483083
CATECHIN GALLATE Enter ChEMBL ID:
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O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL483083 |
| Name | CATECHIN GALLATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSHVYAFMTMFKBA-PZJWPPBQSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
2.53
ALogP
10
HBA
7
HBD
177.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Ki 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | Ki | = | 230.0 | nM | 6.64 | Displacement of NLWAAQRYGRELRRMSD-K(FITC)-FVD from Bcl-2 (unknown origin) by flu... | - |
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FCB1 | 19299148 |
| HCT-116 | IC50 | = | 53000.0 | nM | 4.28 | Cytotoxicity against human HCT116 cells by MTT assay | 23719279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19944611 | 10.1016/j.bmc.2009.11.015 | No relevant target | 2 |
| 19944611 | 10.1016/j.bmc.2009.11.015 | NON-PROTEIN TARGET | 1 |
| 19299148 | 10.1016/j.bmc.2009.02.050 | Plasmodium falciparum | 1 |
| - | 10.1007/s00044-009-9233-5 | Apoptosis regulator Bcl-2 | 1 |
| 23719279 | 10.1016/j.bmc.2013.04.086 | HCT-116 | 1 |
| 32249116 | 10.1016/j.bmcl.2020.127142 | Transient receptor potential cation channel subfamily A member 1 | 1 |
Data from ChEMBL 36 via Core Engine