Details of the Drug

General Information of Drug (ID: DMQBHGK)

• Drug Name: 1-(1-(4-fluorophenyl)ethylidene)thiosemicarbazide
• Synonyms: CHEMBL429500; NSC118183; AC1NUA7B; BDBM50376208; ZINC12350299; AKOS008939384; NSC-118183; [(Z)-1-(4-fluorophenyl)ethylideneamino]thiourea; 1-[1-(4-Fluorophenyl)ethylidene]thiosemicarbazide

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); 211.26
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H10FN3S
  IUPAC Name: [(Z)-1-(4-fluorophenyl)ethylideneamino]thiourea
  Canonical SMILES: C/C(=N/NC(=S)N)/C1=CC=C(C=C1)F
  InChI: InChI=1S/C9H10FN3S/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6-
  InChIKey: JBOMIBNEKCISGH-SDQBBNPISA-N
• Cross-matching ID:
  PubChem CID: 5397679
  CAS Number: 777-16-2
  TTD ID: D0OG4X

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] 1-(1-Arylethylidene)thiosemicarbazide derivatives: a new class of tyrosinase inhibitors. Bioorg Med Chem. 2008 Feb 1;16(3):1096-102.