Details of the Drug

General Information of Drug (ID: DMSZML2)

• Drug Name: 6-chloro-5-(2-thienyl)pyrimidine-2,4(1H,3H)-dione
• Synonyms: 6-chloro-5-(2-thienyl)pyrimidine-2,4(1H,3H)-dione; 1000680-81-8; CHEMBL397364; BDBM20069; 5-Substituted-6-chlorouracil, 10e

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); 228.66
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C8H5ClN2O2S
  IUPAC Name: 6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
  Canonical SMILES: C1=CSC(=C1)C2=C(NC(=O)NC2=O)Cl
  InChI: InChI=1S/C8H5ClN2O2S/c9-6-5(4-2-1-3-14-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
  InChIKey: DPKZWAVQBQNTIP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 23648522
  TTD ID: D0C0HN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thymidine phosphorylase (TYMP)	TTO0IB8	TYPH_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
Thymidine phosphorylase (TYMP)	DTT	TYMP	6.50E-01	-0.03	-0.25

References

• [1] Discovery of 5-substituted-6-chlorouracils as efficient inhibitors of human thymidine phosphorylase. J Med Chem. 2007 Nov 29;50(24):6016-23.