Details of the Drug

General Information of Drug (ID: DMVRFU5)

• Drug Name: 6-Hydroxypropylthymine
• Synonyms: 6-hydroxypropylthymine; 6-(3-hydroxypropyl)thymine; 6-(3-hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione; 2,4(1H,3H)-Pyrimidinedione, 6-(3-hydroxypropyl)-5-methyl-; 156569-47-0; AC1L1CEO; SCHEMBL4315838; CHEBI:43299; CTK8A4001; DB04139

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); 184.19
  Logarithm of the Partition Coefficient (xlogp); -0.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C8H12N2O3
  IUPAC Name: 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
  Canonical SMILES: CC1=C(NC(=O)NC1=O)CCCO
  InChI: InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)
  InChIKey: OIEJBPVNLZZLGQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1865
  ChEBI ID: CHEBI:43299
  UNII: E5AK9SKZ52
  DrugBank ID: DB04139
  TTD ID: D00CEO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thymidine kinase 1 (TK1)	TTP3QRF	KITH_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 kinase 1 (TK1)	DTT	TK1	1.14E-03	0.26	0.75

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.