Details of the Drug

General Information of Drug (ID: DMJA5Y4)

• Drug Name: 2-(4-benzoylpiperazin-1-yl)thiazole-5-carboxamide
• Synonyms: CHEMBL568131; 2-(4-benzoylpiperazin-1-yl)thiazole-5-carboxamide

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); 316.4
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C15H16N4O2S
  IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
  Canonical SMILES: C1CN(CCN1C2=NC=C(S2)C(=O)N)C(=O)C3=CC=CC=C3
  InChI: InChI=1S/C15H16N4O2S/c16-13(20)12-10-17-15(22-12)19-8-6-18(7-9-19)14(21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,16,20)
  InChIKey: NYHCFTYRFCRXPO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 45487374
  TTD ID: D0N1QW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acyl-CoA desaturase (SCD)	TT6RIOV	ACOD_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
Acyl-CoA desaturase (SCD)	DTT	SCD	4.73E-01	0.2	0.54

References

• [1] Thiazole analog as stearoyl-CoA desaturase 1 inhibitor. Bioorg Med Chem Lett. 2009 Sep 1;19(17):5214-7.