Details of the Drug

General Information of Drug (ID: DMUKMC8)

Drug Name
Phloroglucinol
Synonyms
phloroglucinol; 108-73-6; Benzene-1,3,5-triol; 1,3,5-trihydroxybenzene; 1,3,5-benzenetriol; Phloroglucin; Phloroglucine; Spasfon-Lyoc; s-Trihydroxybenzene; 5-Hydroxyresorcinol; Benzene-s-triol; 3,5-Dihydroxyphenol; Benzene, trihydroxy; sym-Trihydroxybenzene; 5-Oxyresorcinol; Dilospan S; Floroglucinol; Floroglucin; Phloroglucinol anhydrous; 5-Oxyresorcinolphloroglucin; 1,3,5-THB; 1,3,5-Trihydroxycyclohexatriene; 1,3,5-Triol; Floroglucin [Czech]; Floroglucinol [Czech]; Benzene, 1,3,5-trihydroxy-; UNII-DHD7FFG6YS; 5-Benzenetriol; NSC 157
Indication
Disease Entry ICD 11 Status REF
Urinary tract disease GC2Z Approved [1]
ATC Code
A03AX12: Phloroglucinol
A03AX: Other drugs for functional gastrointestinal disorders
A03A: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A: ALIMENTARY TRACT AND METABOLISM
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) 0.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H6O3
IUPAC Name
benzene-1,3,5-triol
Canonical SMILES
C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChIKey
QCDYQQDYXPDABM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
359
ChEBI ID
CHEMBL473159
CAS Number
108-73-6
UNII
DHD7FFG6YS
DrugBank ID
DB12944
TTD ID
D07EXH
INTEDE ID
DR2153
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Phloroglucinol reductase (PHGR)
Main DME 		DE69WKO PHGR_EUBOX Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Poly polymerase 1 (PARP1) OT310QSG PARP1_HUMAN Protein Interaction/Cellular Processes [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Purification and properties of phloroglucinol reductase from Eubacterium oxidoreducens G-41. J Biol Chem. 1989 Mar 15;264(8):4423-7.
3 Aspidin PB, a phloroglucinol derivative, induces apoptosis in human hepatocarcinoma HepG2 cells by modulating PI3K/Akt/GSK3 pathway. Chem Biol Interact. 2013 Jan 25;201(1-3):1-8. doi: 10.1016/j.cbi.2012.11.005. Epub 2012 Nov 21.