Details of the Drug

General Information of Drug (ID: DMIB9AX)

• Drug Name: 5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol
• Synonyms: CHEMBL246045; 5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol; BDBM50197243

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: 5-(6-hydroxynaphthalen-2-yl)benzene-1,2,3-triol
  Canonical SMILES: C1=CC2=C(C=CC(=C2)O)C=C1C3=CC(=C(C(=C3)O)O)O
  InChI: InChI=1S/C16H12O4/c17-13-4-3-9-5-10(1-2-11(9)6-13)12-7-14(18)16(20)15(19)8-12/h1-8,17-20H
  InChIKey: PBTSXIZGBMXUHW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25062609
  TTD ID: D0X6PH

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] A newly synthesized, potent tyrosinase inhibitor: 5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol. Bioorg Med Chem Lett. 2010 Aug 15;20(16):4882-4.