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], [2]
Therapeutic Class
Dermatologic Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 200.23
Topological Polar Surface Area (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

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tyrosinase (TYR) TTULVH8 TYRO_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) 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 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 008173.
3 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.
4 Safety and immunogenicity of vaccination with MART-1 (26-35, 27L), gp100 (209-217, 210M), and tyrosinase (368-376, 370D) in-adjuvant with PF-3512676 and GM-CSF in metastatic melanoma. Correction in: volume 35 on page 650.
5 National Cancer Institute Drug Dictionary (drug id 685201).
6 An immuno-oncology company developing a novel polyvalent antigen therapy for the treatment of melanoma. Polynoma. 2015.
7 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
8 ClinicalTrials.gov (NCT00003362) Vaccine Therapy Plus Immune Adjuvants in Treating Patients With Advanced Melanoma. U.S. National Institutes of Health.
9 Gelatinase inhibitors: a patent review (2011-2017).Expert Opin Ther Pat. 2018 Jan;28(1):31-46.
10 Tyrosinase inhibitors: a patent review (2011-2015).Expert Opin Ther Pat. 2016;26(3):347-62.