Details of the Drug

General Information of Drug (ID: DMZJ4VL)

• Drug Name: 3,4-dihydroxybenzaldehyde-O-ethyloxime

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); 181.19
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C9H11NO3
  IUPAC Name: 4-[(Z)-ethoxyiminomethyl]benzene-1,2-diol
  Canonical SMILES: CCO/N=C\\C1=CC(=C(C=C1)O)O
  InChI: InChI=1S/C9H11NO3/c1-2-13-10-6-7-3-4-8(11)9(12)5-7/h3-6,11-12H,2H2,1H3/b10-6-
  InChIKey: XMXAPNDTHZRELH-POHAHGRESA-N
• Cross-matching ID:
  PubChem CID: 136180746
  TTD ID: D0U1MF

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] Discovery of 4-functionalized phenyl-O-beta-D-glycosides as a new class of mushroom tyrosinase inhibitors. Bioorg Med Chem Lett. 2009 Nov 1;19(21):6157-60.