Details of the Drug

General Information of Drug (ID: DM9BS5L)

• Drug Name: 7-(3,5-dihydroxyphenyl)naphthalene-1,3-diol
• Synonyms: CHEMBL392209; 7-(3,5-dihydroxyphenyl)naphthalene-1,3-diol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 268.26
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H12O4
  IUPAC Name: 7-(3,5-dihydroxyphenyl)naphthalene-1,3-diol
  Canonical SMILES: C1=CC(=CC2=C(C=C(C=C21)O)O)C3=CC(=CC(=C3)O)O
  InChI: InChI=1S/C16H12O4/c17-12-4-11(5-13(18)7-12)9-1-2-10-3-14(19)8-16(20)15(10)6-9/h1-8,17-20H
  InChIKey: VMEOGCASIHYHCW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44438240
  TTD ID: D0A7WB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosinase (TYR)	TTULVH8	TYRO_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

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

References

• [1] Syntheses of hydroxy substituted 2-phenyl-naphthalenes as inhibitors of tyrosinase. Bioorg Med Chem Lett. 2007 Jan 15;17(2):461-4.