Compound Detail
CHEMBL297453
EPIGALOCATECHIN GALLATE 🧪 Phase III
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🧪 Phase III
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL297453 |
| Name | EPIGALOCATECHIN GALLATE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | WMBWREPUVVBILR-WIYYLYMNSA-N |
126
Targets
268
Activities
4
Assay Types
8
PK Parameters
20
Publications
2
Known Names
20
Indications
Molecular Properties
458.4
MW (Da)
2.23
ALogP
11
HBA
8
HBD
197.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Unknown |
Indications
Condylomata Acuminata Leiomyoma Lichen Planus, Oral Multiple System Atrophy Alzheimer Disease Amyloidosis, Familial Brain Injuries Breast Neoplasms Carcinoma, Intraductal, Noninfiltrating Diabetes Mellitus, Type 2 Down Syndrome Endometriosis Epidermolysis Bullosa Dystrophica Fragile X Syndrome Huntington Disease Inflammation Liver Cirrhosis Lung Neoplasms Lupus Erythematosus, Systemic Lymphoma, Follicular
Activity Summary
IC50 222 meas. best 7.52
EC50 19 meas. best 7.4
Ki 17 meas. best 8.1
Kd 10 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | Ki | 8.1 | 7.31 | 8.0 | 3 |
| Unchecked CHEMBL612545 | Ki | 7.6 | 7.2233 | 25.0 | 3 |
| Orphan methyltransferase M.SssI CHEMBL4373 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Fatty acid synthase CHEMBL4512 | IC50 | 7.52 | 6.96 | 30.0 | 2 |
| PC-12 CHEMBL612556 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Small ribosomal subunit protein uS2 CHEMBL6119 | Kd | 7.4 | 7.4 | 39.9 | 1 |
| SH-SY5Y CHEMBL614910 | EC50 | 7.4 | 7.4 | 39.9 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.14 | 5.758 | 73.0 | 5 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.14 | 7.14 | 71.6 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 7.07 | 5.94 | 86.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.07 | 5.4497 | 86.0 | 32 |
| Lethal factor CHEMBL4372 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 4 CHEMBL2318 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 6.91 | 6.91 | 122.6 | 2 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 6.85 | 5.7933 | 140.0 | 6 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.7 | 6.303 | 200.0 | 10 |
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 6.7 | 6.65 | 200.0 | 2 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 6.63 | 6.55 | 234.4 | 2 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL1075249 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| DNA repair protein RAD52 homolog CHEMBL2362978 | IC50 | 6.56 | 5.904 | 277.0 | 5 |
| 3-oxoacyl-acyl-carrier protein reductase CHEMBL4513 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| 3-oxoacyl-(Acyl-carrier protein) reductase CHEMBL2424511 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Latent membrane protein 1 CHEMBL1795089 | Kd | 6.44 | 6.44 | 360.0 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 6.44 | 6.34 | 360.0 | 2 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 6.44 | 6.44 | 365.0 | 1 |
| BCL2L10/BID CHEMBL5169272 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | Kd | 6.43 | 6.43 | 367.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 6.43 | 6.43 | 367.7 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 6.42 | 6.42 | 380.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 6.41 | 4.8725 | 391.0 | 4 |
| Transthyretin CHEMBL3194 | Kd | 6.4 | 6.4 | 400.0 | 2 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.37 | 6.37 | 431.0 | 1 |
| BCL2/BID CHEMBL5169265 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Phosphoglycerate mutase 1 CHEMBL3334418 | IC50 | 6.31 | 6.31 | 490.0 | 2 |
| BCL2/BAD CHEMBL5169266 | Ki | 6.31 | 6.31 | 490.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Bcl-xL/BH3-interacting domain death agonist CHEMBL3883285 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| Squalene monooxygenase CHEMBL4241 | IC50 | 6.16 | 6.16 | 690.0 | 2 |
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | Kd | 6.16 | 6.16 | 700.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 6.15 | 6.15 | 713.6 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 6.14 | 6.14 | 727.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| 6-phosphogluconate dehydrogenase, decarboxylating CHEMBL3404 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.14 | 5.97 | 720.0 | 2 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 6.12 | 5.9067 | 757.0 | 3 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist CHEMBL3430886 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 6.02 | 5.33 | 956.3 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 5000.0 | nM | Mus musculus |
| Cmax | 12000.0 | nM | Mus musculus |
| F | 5.0 | % | Rattus norvegicus |
| F | 12.0 | % | Mus musculus |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 0.02167 | hr | Homo sapiens |
| Tmax | 0.5 | hr | Mus musculus |
| Tmax | 0.08333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine