Details of the Drug

General Information of Drug (ID: DMGNVEF)

• Drug Name: 1-hydroxy-3-(4-(trifluoromethyl)phenyl)urea
• Synonyms: CHEMBL260172; SCHEMBL12491371

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); 220.15
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C8H7F3N2O2
  IUPAC Name: 1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea
  Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)NC(=O)NO
  InChI: InChI=1S/C8H7F3N2O2/c9-8(10,11)5-1-3-6(4-2-5)12-7(14)13-15/h1-4,15H,(H2,12,13,14)
  InChIKey: DRFSQRMYIQLAMQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11651456
  TTD ID: D08EJQ

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] Analogues of N-hydroxy-N'-phenylthiourea and N-hydroxy-N'-phenylurea as inhibitors of tyrosinase and melanin formation. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3607-10.