Details of the Drug

General Information of Drug (ID: DMJRBKO)

• Drug Name: 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
• Synonyms: CHEMBL197892; 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol; SCHEMBL1741908; ZINC28527773; BDBM50186767; 5-(6-hydroxy-2-naphthyl)benzene-1,3-diol; 5-(6-Hydroxy-naphthalen-2-yl)-benzene-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); 252.26
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H12O3
  IUPAC Name: 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
  Canonical SMILES: C1=CC2=C(C=CC(=C2)O)C=C1C3=CC(=CC(=C3)O)O
  InChI: InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H
  InChIKey: CKQUMNKKOYTAST-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11514345
  TTD ID: D0AZ0Y

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.