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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:16204
CAS Number: 108-73-6
DrugBank ID: DB12944
TTD ID: D07EXH
INTEDE ID: DR2153

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Apoptosis regulator BAX (BAX)	OTAW0V4V	BAX_HUMAN	Gene/Protein Processing	[3]
Apoptosis regulator Bcl-2 (BCL2)	OT9DVHC0	BCL2_HUMAN	Gene/Protein Processing	[3]
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Protein Interaction/Cellular Processes	[4]
Caspase-9 (CASP9)	OTD4RFFG	CASP9_HUMAN	Protein Interaction/Cellular Processes	[3]
Glycogen synthase kinase-3 beta (GSK3B)	OTL3L14B	GSK3B_HUMAN	Post-Translational Modifications	[4]
Growth/differentiation factor 15 (GDF15)	OTWQN50N	GDF15_HUMAN	Gene/Protein Processing	[4]
Poly polymerase 1 (PARP1)	OT310QSG	PARP1_HUMAN	Protein Interaction/Cellular Processes	[4]
RAC-alpha serine/threonine-protein kinase (AKT1)	OT8H2YY7	AKT1_HUMAN	Post-Translational Modifications	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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	Dryofragin, a phloroglucinol derivative, induces apoptosis in human breast cancer MCF-7 cells through ROS-mediated mitochondrial pathway. Chem Biol Interact. 2012 Aug 30;199(2):129-36. doi: 10.1016/j.cbi.2012.06.007. Epub 2012 Jul 13.
4	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.