Details of the Drug

General Information of Drug (ID: DMVJS2K)

Drug Name

Monobenzone

Synonyms

Agerite; Alba; Benoquin; Benzoquin; Carmifal; Depigman; Dermochinona; Leucodinine; Monobenzon; Monobenzona; Monobenzonum; PBP; Pigmex; Superlite; Agerite alba; Benzyl hydroquinone; Hydrochinon monobenzylether; Hydrochinon monobenzylether [Czech]; Hydroquinone benzyl ether; Hydroquinone monobenzyl ether; ICN brand of monobenzone; Monobenzone [INN]; Monobenzyl Ether of Hydroquinone; Monobenzyl ether hydroquinone; Monobenzyl hydroquinone; Alba-Dome; Benoquin (TN); Benoquin, Monobenzone; Benzyl p-hydroxyphenyl ether; Carmifal(TN); Depigman (TN); Dermochinona (TN); HYDROQUINONE MONOBENZYL ETHER, N F; Leucodinine (TN); Monobenzon (TN); Monobenzona [INN-Spanish]; Monobenzonum [INN-Latin]; Novo-depigman; P-BENZYLOXYPHENOL; P-Hydroxyphenyl benzyl ether; Pigmex (TN); Superlite (TN); Superlite (antioxidant); Monobenzone (USP/INN); P-(BENZYLOXY)PHENOL; 4-(Benzyl-Oxy)Phenol; 4-(Benzyloxy)phenol; 4-(Benzyloxyl)phenol; 4-(Phenylmethoxy)phenol; 4-Benzyloxyphenol; 4-benzyloxy phenol; 4-phenylmethoxy-phenol; 4-phenylmethoxyphenol

Indication

Disease Entry	ICD 11	Status	REF
Vitiligo	ED63.0	Approved	[1]
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Therapeutic Class

Dermatologic Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

200.23

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H12O2
IUPAC Name: 4-phenylmethoxyphenol
Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)O
InChI: InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey: VYQNWZOUAUKGHI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 7638
ChEBI ID: CHEBI:34380
CAS Number: 103-16-2
DrugBank ID: DB00600
TTD ID: D0H6TP

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosinase (TYR)	TTULVH8	TYRO_HUMAN	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cellular tumor antigen p53 (TP53)	OTIE1VH3	P53_HUMAN	Gene/Protein Processing	[3]
Nuclear receptor subfamily 1 group I member 2 (NR1I2)	OTC5U0N5	NR1I2_HUMAN	Gene/Protein Processing	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Vitiligo

ICD Disease Classification

ED63.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tyrosinase (TYR)	DTT	TYR	6.68E-04	2.54	1.15

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6830).
2	Identification of an Alkylhydroquinone from Rhus succedanea as an Inhibitor of Tyrosinase and Melanogenesis. J Agric Food Chem. 2009 Mar 25;57(6):2200-5.
3	Identification of environmental chemicals that activate p53 signaling after in vitro metabolic activation. Arch Toxicol. 2022 Jul;96(7):1975-1987. doi: 10.1007/s00204-022-03291-5. Epub 2022 Apr 18.
4	Screening of a chemical library reveals novel PXR-activating pharmacologic compounds. Toxicol Lett. 2015 Jan 5;232(1):193-202. doi: 10.1016/j.toxlet.2014.10.009. Epub 2014 Oct 16.