Details of the Drug

General Information of Drug (ID: DMNT3JV)

• Drug Name: N-(2,4-dihydroxybenzyl)-3,4,5-trihydroxybenzamide
• Synonyms: CHEMBL207146; N-(2,4-dihydroxybenzyl)-3,4,5-trihydroxybenzamide

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 291.26
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C14H13NO6
  IUPAC Name: N-[(2,4-dihydroxyphenyl)methyl]-3,4,5-trihydroxybenzamide
  Canonical SMILES: C1=CC(=C(C=C1O)O)CNC(=O)C2=CC(=C(C(=C2)O)O)O
  InChI: InChI=1S/C14H13NO6/c16-9-2-1-7(10(17)5-9)6-15-14(21)8-3-11(18)13(20)12(19)4-8/h1-5,16-20H,6H2,(H,15,21)
  InChIKey: NWUBAFGVRZLIOR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44411127
  TTD ID: D07FKO

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] N-Benzylbenzamides: a new class of potent tyrosinase inhibitors. Bioorg Med Chem Lett. 2006 May 15;16(10):2682-4.