GALLIC ACID

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 632XD903SP

Structure
InChI Key LNTHITQWFMADLM-UHFFFAOYSA-N
Smile O=C(O)c1cc(O)c(O)c(O)c1
InChI
InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6O5
Molecular Weight 170.12
AlogP 0.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 97.99
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Adhesion
- 19100 - - -
Enzyme Hydrolase
- - - - 3
Enzyme Lyase
- - - 2250 -
Enzyme Oxidoreductase
- 1060-1530 - - 31.7
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 7700000 - - -
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M12B subfamily
- - - - 38.9-47.9
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 4650 - - -
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- 7100000 - - -
Enzyme Transferase
- 1370 1.34 - 59.39-64.71
Enzyme
- 1060-1530 1.34 2250 38.9-47.9
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -49.41--7.85
Membrane receptor Taste family G protein-coupled receptor Taste receptor (taste family GPCR)
- - - - 25
Membrane receptor Toll-like and Il-1 receptors
- 69250 - - -
Membrane receptor
1.7-3.2 69250 - - 92-260
Secreted protein
- 170 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 67.94
Unclassified protein
- 4430 - - 78.2

Cross References

Resources Reference
ChEBI 30778
ChEMBL CHEMBL288114
EPA CompTox DTXSID0020650
FDA SRS 632XD903SP
Human Metabolome Database HMDB05807
Guide to Pharmacology 5549
KEGG C01424
PDB GDE
PubChem 370
SureChEMBL SCHEMBL15012
ZINC ZINC000000001504
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