Details of the Drug

General Information of Drug (ID: DM4O6I5)

Drug Name
5-Iodouracil
Synonyms
5-Iodouracil; 696-07-1; 5-iodopyrimidine-2,4(1H,3H)-dione; 2,4(1H,3H)-Pyrimidinedione, 5-iodo-; 5-iodopyrimidine-2,4-diol; Uracil, 5-iodo-; 2,4-Dihydroxy-5-iodopyrimidine; 5-iodo-1H-pyrimidine-2,4-dione; 5-iodo uracil; UNII-H59BRK500M; NSC 57848; CHEBI:43636; EINECS 211-788-2; CHEMBL1173; AI3-50390; H59BRK500M; KSNXJLQDQOIRIP-UHFFFAOYSA-N; 5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione; NSC57848; MFCD00006020; 5-Iodouracil, 99%; 5-iodo-1,3-dihydropyrimidine-2,4-dione; IUR; 5909-21-7; 5-Iodo-uracil; 5- Iodouracil; zlchem 530
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) 237.98
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C4H3IN2O2
IUPAC Name
5-iodo-1H-pyrimidine-2,4-dione
Canonical SMILES
C1=C(C(=O)NC(=O)N1)I
InChI
InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey
KSNXJLQDQOIRIP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
69672
ChEBI ID
CHEBI:43636
CAS Number
696-07-1
UNII
H59BRK500M
DrugBank ID
DB03554
TTD ID
D08EZR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dihydrothymine dehydrogenase (DPYD) TTZPS91 DPYD_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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