EPIGALOCATECHIN GALLATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: BQM438CTEL

Structure
InChI Key WMBWREPUVVBILR-WIYYLYMNSA-N
Smile 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
InChI
InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H18O11
Molecular Weight 458.38
AlogP 2.23
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 3.0
Polar Surface Area 197.37
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Adhesion
- - - - 85
Enzyme Hydrolase
- 12000 - -
Enzyme Isomerase
- 1800 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MAPKAPK subfamily
- 1000 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- 330-13440 - - 48
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 2210 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - - - 18
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 10000 - 3300 -
Enzyme Oxidoreductase
- 5000-15000 - - 13
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 757-1600 - - -18-38
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- - - - 82
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 21500 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 12800 - - 27-88
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 10210 - - -
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- 86-18000 - - -
Enzyme Transferase
- 1000-1180 - - -
Enzyme
- 1000-1180 - 8-186 -18-38
Epigenetic regulator Reader Bromodomain
- 30000-30000 - - -
Epigenetic regulator Reader Methyl-lysine/arginine binding protein Chromodomain
- 70000-70000 - - -
Epigenetic regulator Writer DNA methyltransferase
- 500 - - 42
Epigenetic regulator Writer Histone acetyltransferase GNAT family
- 60000-60000 - - -
Epigenetic regulator Writer Histone acetyltransferase MYST family
- 70000-70000 - - -
Epigenetic regulator Writer Histone acetyltransferase p300/CBP family
- 30000-30000 - - -
Ion channel Other ion channel Miscellaneous ion channel Bcl-2 family
- - - 234-335 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
- - - 33600-33600 -
Membrane receptor
- 500-100000 - 33600-33600 53-95
Other cytosolic protein
- 1800 - - -
Other nuclear protein
- 277 - - -
Secreted protein
- - 400-400 - 53
Transcription factor
- - 700 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 46
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 123-124 - - -
Transporter Primary active transporter P-type ATPase Calcium ATPase
- 12000 - - -
Unclassified protein
- 360-580 - - 50-63

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lichen Planus, Oral 3 D017676 ClinicalTrials
Condylomata Acuminata 3 D003218 ClinicalTrials
Multiple System Atrophy 3 D019578 ClinicalTrials
Virus Diseases 2 D014777 ClinicalTrials
Prostatic Hyperplasia 2 D011470 ClinicalTrials
Amyloidosis, Familial 2 D028226 ClinicalTrials
Fragile X Syndrome 2 D005600 ClinicalTrials
Muscular Dystrophy, Duchenne 2 D020388 ClinicalTrials
Carcinoma, Intraductal, Noninfiltrating 2 D002285 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Brain Injuries 2 D001930 ClinicalTrials
Inflammation 2 D007249 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Down Syndrome 2 D004314 ClinicalTrials
Endometriosis 2 D004715 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Multiple Sclerosis 2 D009103 ClinicalTrials
Nasopharyngeal Neoplasms 2 D009303 ClinicalTrials
Epidermolysis Bullosa Dystrophica 2 D016108 ClinicalTrials
Huntington Disease 2 D006816 ClinicalTrials
Osteoporosis 1 D010024 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Leiomyoma 1 D007889 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 1 D020529 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Liver Cirrhosis 1 D008103 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Barrett Esophagus 1 D001471 ClinicalTrials
Idiopathic Pulmonary Fibrosis 0 D054990 ClinicalTrials
Colonic Neoplasms 0 D003110 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4806
ChEMBL CHEMBL297453
DrugBank DB12116
EPA CompTox DTXSID1029889
FDA SRS BQM438CTEL
Human Metabolome Database HMDB0003153
Guide to Pharmacology 7002
KEGG C09731
PDB KDH
SureChEMBL SCHEMBL35258
ZINC ZINC000003870412
CONTENTS