Details of the Drug

General Information of Drug (ID: DMG5KDY)

Drug Name
PYROGALLOL
Synonyms
pyrogallol; benzene-1,2,3-triol; 87-66-1; 1,2,3-trihydroxybenzene; pyrogallic acid; 1,2,3-benzenetriol; Fouramine Brown AP; fourrine PG; fourrine 85; Pyro; C.I. Oxidation Base 32; Piral; fouramine base ap; C.I. 76515; Benzenetriol; 1,2,3-Trihydroxybenzen; Benzene, 1,2,3-trihydroxy-; CI Oxidation Base 32; NSC 5035; UNII-01Y4A2QXY0; HSDB 794; CCRIS 1940; 2,3-Dihydroxyphenol; 1,2,3-Trihydroxybenzen [Czech]; 1,2,3-TRIHYDROXY-BENZENE; Pyrogallol, ACS reagent; EINECS 201-762-9; BRN 0907431; CI 76515; AI3-00709; CHEMBL307145; 01Y4A2QXY0
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 126.11
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H6O3
IUPAC Name
benzene-1,2,3-triol
Canonical SMILES
C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChIKey
WQGWDDDVZFFDIG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1057
ChEBI ID
CHEMBL307145
CAS Number
87-66-1
TTD ID
D06TPF
INTEDE ID
DR2253
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Glucansucrase (gtf106B)
Main DME 		DEWRN24 Q5SBN3_LACRE Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cytochrome c (CYCS) OTBFALJD CYC_HUMAN Protein Interaction/Cellular Processes [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Simple analogues of anthralin: unusual specificity of structure and antiproliferative activity. J Med Chem. 1997 Nov 7;40(23):3773-80.
2 Impact of low-level laser therapy on hyposalivation, salivary pH, and quality of life in head and neck cancer patients post-radiotherapy. Lasers Med Sci. 2017 May;32(4):827-832.
3 Pyrogallol inhibits the growth of lung cancer Calu-6 cells via caspase-dependent apoptosis. Chem Biol Interact. 2009 Jan 27;177(2):107-14. doi: 10.1016/j.cbi.2008.10.014. Epub 2008 Oct 19.