Details of the Drug

General Information of Drug (ID: DMJIA6T)

Drug Name
Barbiturate
Synonyms
Barbituric acid; BARBITURIC ACID; 67-52-7; Malonylurea; 6-Hydroxyuracil; 2,4,6(1H,3H,5H)-Pyrimidinetrione; Pyrimidinetrione; pyrimidine-2,4,6(1H,3H,5H)-trione; 2,4,6-Pyrimidinetrione; Malonylharnstoff; 2,4,6-Trioxohexahydropyrimidine; 1,3-diazinane-2,4,6-trione; Barbitursaeure; Hexahydropyrimidine-2,4,6-trione; Hydrouracil, 6-hydroxy-; Barbituric acid (VAN); Urea, N,N'-(1,3-dioxo-1,3-propanediyl)-; NSC 7889; UNII-WQ92Y2793G; 2,4,6-Pyrimidinetrione(1H,3H,5H); Barbituric acid (VAN) (8CI); CHEBI:16294; EINECS 200-658-0; Barbitursaeure; Pyrimidinetriol; Barbiturate anion; Sodiumbarbiturate; AG-670/31547005; Hexahydro-pyrimidine-2,4,6-trione; Pyrimidine-2,4,6(1H,3H,5H)-trione; 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione; 11709_FLUKA; 2,4,6-(1H,3H,5H)-Pyrimidinetrione; 2,4,6-Pyrimidinetriol; 2,4,6-Trihydroxypyrimidine; 2,4,6-trioxotetrahydro-2H-pyrimidin-1-ide; 4,6-dioxo-1H-pyrimidin-2-olate
Indication
Disease Entry ICD 11 Status REF
Anaesthesia 9A78.6 Approved [1]
Depression 6A70-6A7Z Approved [2]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 128.09
Logarithm of the Partition Coefficient (xlogp) -1.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H4N2O3
IUPAC Name
1,3-diazinane-2,4,6-trione
Canonical SMILES
C1C(=O)NC(=O)NC1=O
InChI
InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey
HNYOPLTXPVRDBG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6211
ChEBI ID
CHEMBL16294
CAS Number
67-52-7
UNII
QTO9JB4MDD
DrugBank ID
DB13707
TTD ID
D0WB9V
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor alpha-1 (GABRA1) TT1MPAY GBRA1_HUMAN Antagonist [2]
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Anaesthetic drugs: linking molecular actions to clinical effects. Curr Pharm Des. 2006;12(28):3665-79.
2 DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.