Details of the Drug

General Information of Drug (ID: DM3IMXF)

• Drug Name: N-(2,4-dihydroxybenzyl)-3,4-dihydroxybenzamide
• Synonyms: CHEMBL206902; N-(2,4-dihydroxybenzyl)-3,4-dihydroxybenzamide

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); 275.26
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H13NO5
  IUPAC Name: N-[(2,4-dihydroxyphenyl)methyl]-3,4-dihydroxybenzamide
  Canonical SMILES: C1=CC(=C(C=C1C(=O)NCC2=C(C=C(C=C2)O)O)O)O
  InChI: InChI=1S/C14H13NO5/c16-10-3-1-9(12(18)6-10)7-15-14(20)8-2-4-11(17)13(19)5-8/h1-6,16-19H,7H2,(H,15,20)
  InChIKey: QWXDIFRZEIADFB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44410889
  TTD ID: D0T2WM

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.