ELLAGIC ACID

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 19YRN3ZS9P

Structure
InChI Key AFSDNFLWKVMVRB-UHFFFAOYSA-N
Smile O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
InChI
InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H6O8
Molecular Weight 302.19
AlogP 1.31
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 0.0
Polar Surface Area 141.34
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 5100-5100 - - 4
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- 3340 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKA family
- 600-3500 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase NuaK subfamily
- 510 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 3390 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 7500 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 1090 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- 2480 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- 40-40 - 20 95-95
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- 2970 - - -
Enzyme Kinase Protein Kinase Other protein kinase group
- 40-40 - 20 95-95
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- 2370 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- 1760 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- - - - 40-85
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 3540 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- 1830 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fak family
- 3110 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- 250 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 580 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 1300 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 300-800 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
- 4300 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- 260 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 1540 - - -
Enzyme Kinase Protein kinase regulatory subunit
- 40-40 - - 95-95
Enzyme Lyase
- - - 2320-68200 -
Enzyme Oxidoreductase
1600 2000 - - -
Enzyme Phosphatase
- 1850 - - -
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 3900 - - -
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 64000 - - -
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family
- 20700 - - -
Enzyme Transferase
- 510-2930 371 - -
Enzyme
1600 3000-5500 371 2320-68200 40-85
Epigenetic regulator Writer Protein methyltransferase Protein arginine methyltransferase
- 25000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Carboxylic acid receptor Kynurenic acid receptor
110-2960 100 - - -
Membrane receptor
110-2960 100000 - - -
Other cytosolic protein
- 1090 - - -
Other nuclear protein
- - - - 40-85
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 66
Unclassified protein
- 3500 - - 94

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma, Follicular 2 D008224 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4775
ChEMBL CHEMBL6246
DrugBank DB08846
EPA CompTox DTXSID2020557
FDA SRS 19YRN3ZS9P
Human Metabolome Database HMDB0002899
KEGG C10788
PDB REF
PubChem 5281855
SureChEMBL SCHEMBL20429
ZINC ZINC000003872446
CONTENTS