Details of the Drug

General Information of Drug (ID: DM2PQFE)

• Drug Name: 1-(1-p-tolylethylidene)thiosemicarbazide
• Synonyms: CHEMBL256866; 7410-54-0; NSC8380; AC1NS5IF; DTXSID70417787; MolPort-020-322-439; ZINC502706; 1-p-Tolylethanone thiosemicarbazone; NSC-8380; BDBM50376198; AKOS002388601; AKOS008939485

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); 207.3
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H13N3S
  IUPAC Name: [(Z)-1-(4-methylphenyl)ethylideneamino]thiourea
  Canonical SMILES: CC1=CC=C(C=C1)/C(=N\\NC(=S)N)/C
  InChI: InChI=1S/C10H13N3S/c1-7-3-5-9(6-4-7)8(2)12-13-10(11)14/h3-6H,1-2H3,(H3,11,13,14)/b12-8-
  InChIKey: CLXMWTWYQLEKAI-WQLSENKSSA-N
• Cross-matching ID:
  PubChem CID: 5354385
  CAS Number: 7410-54-0
  TTD ID: D08OFD

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.