Details of the Drug

General Information of Drug (ID: DM7WJOY)

• Drug Name: 1-(1-(pyrazin-2-yl)ethylidene)thiosemicarbazide
• Synonyms: CHEMBL401556; AC1NT9J5; 142564-78-1; BDBM50376205; ZINC26974934; AKOS014545779; 1-(2-Pyrazinyl)ethanone thiosemicarbazone

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); 195.25
  Logarithm of the Partition Coefficient (xlogp); -0.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C7H9N5S
  IUPAC Name: [(Z)-1-pyrazin-2-ylethylideneamino]thiourea
  Canonical SMILES: C/C(=N/NC(=S)N)/C1=NC=CN=C1
  InChI: InChI=1S/C7H9N5S/c1-5(11-12-7(8)13)6-4-9-2-3-10-6/h2-4H,1H3,(H3,8,12,13)/b11-5-
  InChIKey: LNRWBLGPWCJQEM-WZUFQYTHSA-N
• Cross-matching ID:
  PubChem CID: 5375406
  TTD ID: D0HS3M

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.