Details of the Drug

General Information of Drug (ID: DM6AVR4)

• Drug Name: Hydroquinone
• Synonyms: hydroquinone; 1,4-benzenediol; Benzene-1,4-diol; 123-31-9; 1,4-Dihydroxybenzene; Quinol; p-Benzenediol; p-Hydroxyphenol; p-Hydroquinone; 4-Hydroxyphenol; Eldoquin; Benzoquinol; p-Dihydroxybenzene; hydroquinol; Eldopaque; Phiaquin; p-Dioxybenzene; Hydroquinole; Dihydroquinone; Tecquinol; Idrochinone; Benzohydroquinone; Tequinol; Hidroquinone; Arctuvin; Dihydroxybenzene; Solaquin forte; Derma-Blanch; Tenox HQ; Hydrochinone; Hydrochinon; Artra; Eldoquin Forte; Eldopaque Forte; Diak 5; Benzene, p-dihydroxy-; 1,4-Dihydroxy-benzol; Usaf ek-356; Accutin

Indication

Disease Entry	ICD 11	Status	REF
Melasma	ED60.1	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 110.11
  Topological Polar Surface Area (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C6H6O2
  IUPAC Name: benzene-1,4-diol
  Canonical SMILES: C1=CC(=CC=C1O)O
  InChI: InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
  InChIKey: QIGBRXMKCJKVMJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 785
  ChEBI ID: CHEBI:17594
  CAS Number: 123-31-9
  DrugBank ID: DB09526
  TTD ID: D03UOT
  INTEDE ID: DR0835

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycoprotein IIb/IIIa receptor (GPIIb/IIIa)	TT38RM1	ITA2B_HUMAN; ITB3_HUMAN	Antagonist	[2]
Tyrosinase (TYR)	TTULVH8	TYRO_HUMAN	Inhibitor	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[4]
Fumarate reductase flavoprotein (frdA)	DEQUXZ5	FRDA_WOLSU	Substrate	[5]

Molecular Expression Atlas of This Drug

• The Studied Disease: Melasma
• ICD Disease Classification: ED60.1

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tyrosinase (TYR)	DTT	TYR	6.68E-04	2.54	1.15
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	2.19E-08	-5.72E-01	-1.61E+00

References

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