Compound Detail
CHEMBL129482
(+)-EPICATECHIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL129482 |
| Name | (+)-EPICATECHIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | PFTAWBLQPZVEMU-ZFWWWQNUSA-N |
3
Targets
7
Activities
2
Assay Types
3
PK Parameters
20
Publications
2
Known Names
5
Indications
Molecular Properties
290.3
MW (Da)
1.55
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Friedreich Ataxia Hypertension Muscular Dystrophy, Duchenne Muscular Dystrophy, Duchenne Prediabetic State
Activity Summary
IC50 6 meas. best 5.6
Kd 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.6 | 5.245 | 2500.0 | 2 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 4.64 | 4.595 | 23000.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | Kd | 4.6 | 4.6 | 25100.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.54 | 4.54 | 29080.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 3020.0 | nM | Homo sapiens |
| Ke | 2170.0 | nM | Homo sapiens |
| Ke | 5810.0 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of peroxidase activity of COX1 in heep seminal vesicle by TMPD assay | 15568761 |
| Prostaglandin G/H synthase 1 | IC50 | = | 12800.0 | nM | 4.89 | Inhibition of cyclooxygenase activity of COX1 in sheep seminal vesicle in presen... | 15568761 |
| Beta-secretase 1 | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of human Beta-secretase 1 | 14592472 |
| Prostaglandin G/H synthase 1 | Kd | = | 25100.0 | nM | 4.6 | Binding affinity to COX1 in sheep seminal vesicle | 15568761 |
| Beta-secretase 1 | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of human Beta-secretase 1 | 14592472 |
| BV-2 | IC50 | = | 29080.0 | nM | 4.54 | Antiinflammatory activity against mouse BV-2 cells assessed as reduction in LPS ... | 37683361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15568761 | 10.1021/np0498410 | Prostaglandin G/H synthase 1 | 5 |
| 12568546 | 10.1021/jf020978a | Linaria genistifolia subsp. dalmatica | 3 |
| 12568546 | 10.1021/jf020978a | Bassia scoparia | 3 |
| 12568546 | 10.1021/jf020978a | Arabidopsis thaliana | 3 |
| 12568546 | 10.1021/jf020978a | Triticum aestivum | 3 |
| 12568546 | 10.1021/jf020978a | Solanum lycopersicum | 3 |
| 12568546 | 10.1021/jf020978a | Centaurea diffusa | 3 |
| 12568546 | 10.1021/jf020978a | Centaurea maculosa | 3 |
| 18640042 | 10.1016/j.bmc.2008.06.049 | Neuraminidase | 3 |
| 11000034 | 10.1021/np000084p | Unchecked | 3 |
| 17685652 | 10.1021/np070194x | Unchecked | 3 |
| 16722653 | 10.1021/jm0600545 | Plasmodium falciparum | 2 |
| 14592472 | 10.1016/j.bmcl.2003.09.018 | Beta-secretase 1 | 2 |
| 15568761 | 10.1021/np0498410 | Prostaglandin G/H synthase 2 | 1 |
| 17685652 | 10.1021/np070194x | Kappa-type opioid receptor | 1 |
| 20817450 | 10.1016/j.bmcl.2010.08.061 | Fatty acid synthase | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | BV-2 | 1 |
| 17685652 | 10.1021/np070194x | Mu-type opioid receptor | 1 |
| 16722653 | 10.1021/jm0600545 | 3-oxoacyl-acyl-carrier protein reductase | 1 |
| 16722653 | 10.1021/jm0600545 | Enoyl-acyl-carrier protein reductase | 1 |
Data from ChEMBL 36 via Core Engine