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
Structure
3D MOL 2D MOL
#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
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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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