Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0U2BH
|
|||
| Former ID |
DIB004875
|
|||
| Drug Name |
Epigallocatechin gallate
|
|||
| Synonyms |
(-)-Epigallocatechin gallate; EGCG; 989-51-5; Epigallocatechin 3-gallate; Epigallocatechin-3-gallate; Tea catechin; (-)-Epigallocatechin-3-o-gallate; Teavigo; Epigallocatechin-3-monogallate; (-)-Epigallocatechol gallate; (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate; Catechin deriv; UNII-BQM438CTEL; Green tea extract; CCRIS 3729; (-)-epigallocatechin 3-gallate; C22H18O11; BQM438CTEL; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl; EGCG analogs; EGCG, Anagen; Epigallocatechin gallate analogs, Anagen; Epigallocatechin gallate, Anagen; GTPs,Anagen; Green tea polyphenols, Anagen; EPIGALOCATECHIN GALLATE
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Hepatic fibrosis [ICD-11: DB93.0; ICD-10: K74.0; ICD-9: 571] | Phase 3 | [1], [2], [3], [4] | |
| Company |
Anagen Therapeutics Inc; Enzo Life Sciences
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C22H18O11
|
|||
| Canonical SMILES |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
|
|||
| 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
|
|||
| InChIKey |
WMBWREPUVVBILR-WIYYLYMNSA-N
|
|||
| CAS Number |
CAS 989-51-5
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
11919, 596515, 8189481, 11341548, 11361731, 11363210, 11365772, 11368334, 11371228, 11375140, 11376496, 11483771, 11487133, 11487984, 11490060, 11493355, 11494130, 11537561, 12014693, 14882390, 14906885, 17487252, 24873355, 24894544, 24894548, 26613116, 26680814, 26719730, 26757738, 26758664, 29204103, 43121905, 46386901, 47291228, 47589093, 47589094, 48185092, 48413722, 48422048, 48423478, 49681655, 49856285, 50111658, 50111659, 53787947, 56312081, 56313904, 57315279, 57654158, 57654159
|
|||
| ChEBI ID |
CHEBI:4806
|
|||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7002). | |||
| REF 2 | The green tea polyphenol (2)-epigallocatechin-3-gallate (EGCG) is not a beta-secretase inhibitor. Bioorg Med Chem Lett. 2012 Feb 1;22(3):1408-14. | |||
| REF 3 | Epigallocatechin gallate modulates CYP450 isoforms in the female Swiss-Webster mouse. Toxicol Sci. 2003 Dec;76(2):262-70. | |||
| REF 4 | Prolyl endopeptidase inhibitors from green tea. Arch Pharm Res. 2001 Aug;24(4):292-6. | |||
| REF 5 | Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. J Med Chem. 2006 Jun 1;49(11):3345-53. | |||
| REF 6 | Simplified catechin-gallate inhibitors of HIV-1 reverse transcriptase. Bioorg Med Chem Lett. 2001 Oct 22;11(20):2763-7. | |||
| REF 7 | Regioselective synthesis of methylated epigallocatechin gallate via nitrobenzenesulfonyl (Ns) protecting group. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4171-4. | |||
| REF 8 | Evaluation of human neutrophil elastase inhibitory effect of iridoid glycosides from Hedyotis diffusa. Bioorg Med Chem Lett. 2010 Jan 15;20(2):513-5. | |||
| REF 9 | Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR). J Med Chem. 2007 Feb 22;50(4):765-75. | |||
| REF 10 | Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug;64(8):1010-4. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.